1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide

C16H29N3O2 — CID 8530576

IUPAC1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)[C@@H](C)N2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C16H29N3O2/c1-11-8-12(2)10-19(9-11)16(21)13(3)18-6-4-14(5-7-18)15(17)20/h11-14H,4-10H2,1-3H3,(H2,17,20)/t11-,12+,13-/m1/s1
InChIKeyDOJXOHRNVNZCMZ-FRRDWIJNSA-N
MW295.43 g/mol
LogP1.08
Rot. Bonds3

About 1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide

1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 8530576) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID8530576
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)[C@@H](C)N2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C16H29N3O2/c1-11-8-12(2)10-19(9-11)16(21)13(3)18-6-4-14(5-7-18)15(17)20/h11-14H,4-10H2,1-3H3,(H2,17,20)/t11-,12+,13-/m1/s1
InChIKeyDOJXOHRNVNZCMZ-FRRDWIJNSA-N
XLogP1.08
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907170
1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 134062663
1-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide
CID 8530584
1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 43130716
1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119918311
1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 82042068
1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylmorpholin-4-yl)propan-1-one
CID 134055253
1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119918310
2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134058373
2-(4-carbamoylpiperidin-1-yl)-3-methylbutanoyl chloride
CID 82041829
1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 134058372
(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 8542107

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 8530576) is 1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide is C[C@@H]1C[C@H](C)CN(C(=O)[C@@H](C)N2CCC(C(N)=O)CC2)C1.
What is the InChIKey of 1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is DOJXOHRNVNZCMZ-FRRDWIJNSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-11-8-12(2)10-19(9-11)16(21)13(3)18-6-4-14(5-7-18)15(17)20/h11-14H,4-10H2,1-3H3,(H2,17,20)/t11-,12+,13-/m1/s1.
What are the key properties of 1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide?
1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 8530576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).