(3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide

C29H50N6O5 — CID 91373160

IUPAC(3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(C)=O)C2)C1.CNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(C)C2)C1
InChIInChI=1S/C15H25N3O3.C14H25N3O2/c1-11(19)17-7-4-6-13(10-17)15(21)18-8-3-5-12(9-18)14(20)16-2;1-15-13(18)11-5-4-8-17(10-11)14(19)12-6-3-7-16(2)9-12/h12-13H,3-10H2,1-2H3,(H,16,20);11-12H,3-10H2,1-2H3,(H,15,18)/t12-,13+;11-,12+/m00/s1
InChIKeyRTECIIBSYHTLGB-UIUABLORSA-N
MW562.76 g/mol
LogP0.54
Rot. Bonds4

About (3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide

(3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide (PubChem CID 91373160) has the molecular formula C29H50N6O5 and a molecular weight of 562.76 g/mol. Its IUPAC name is (3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide
PubChem CID91373160
Molecular FormulaC29H50N6O5
Molecular Weight562.76 g/mol
Exact Mass562.38
IUPAC Name(3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(C)=O)C2)C1.CNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(C)C2)C1
InChIInChI=1S/C15H25N3O3.C14H25N3O2/c1-11(19)17-7-4-6-13(10-17)15(21)18-8-3-5-12(9-18)14(20)16-2;1-15-13(18)11-5-4-8-17(10-11)14(19)12-6-3-7-16(2)9-12/h12-13H,3-10H2,1-2H3,(H,16,20);11-12H,3-10H2,1-2H3,(H,15,18)/t12-,13+;11-,12+/m00/s1
InChIKeyRTECIIBSYHTLGB-UIUABLORSA-N
XLogP0.54
TPSA122.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.76
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4185001
3,3'-(Piperazine-1,4-dicarbonyl)bis(piperidin-2-one)
CID 665083
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 3563959
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 4445524
N-[6-(piperidine-3-carbonylamino)hexyl]piperidine-3-carboxamide
CID 348457
1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 20911412
N-(3-{[1,4'-Bipiperidin]-1'-YL}propyl)-1-(piperidine-1-sulfonyl)piperidine-3-carboxamide
CID 46273861
N-(3-{[1,4'-Bipiperidin]-1'-YL}propyl)-1-[(4-methylpiperidin-1-YL)sulfonyl]piperidine-3-carboxamide
CID 46276243
(Piperazine-1,4-diyl)bis[(piperidin-3-yl)methanone]
CID 13300483
[4-(Piperidine-3-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrobromide
CID 13300484
1-methyl-N-[10-[(1-methylpiperidine-3-carbonyl)amino]decyl]piperidine-3-carboxamide
CID 13300490
1-methyl-N-[6-[(1-methylpiperidine-3-carbonyl)amino]hexyl]piperidine-3-carboxamide
CID 13300496

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide (CID 91373160) is (3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide is CNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(C)=O)C2)C1.CNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(C)C2)C1.
What is the InChIKey of (3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is RTECIIBSYHTLGB-UIUABLORSA-N. The full InChI is InChI=1S/C15H25N3O3.C14H25N3O2/c1-11(19)17-7-4-6-13(10-17)15(21)18-8-3-5-12(9-18)14(20)16-2;1-15-13(18)11-5-4-8-17(10-11)14(19)12-6-3-7-16(2)9-12/h12-13H,3-10H2,1-2H3,(H,16,20);11-12H,3-10H2,1-2H3,(H,15,18)/t12-,13+;11-,12+/m00/s1.
What are the key properties of (3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide?
(3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 562.76 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 91373160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).