(3S)-1-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)piperidine-3-carboxamide

C14H24N6O — CID 125177511

IUPAC(3S)-1-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)piperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NCc2nnc3n2CCNCC3)C1
InChIInChI=1S/C14H24N6O/c1-19-7-2-3-11(10-19)14(21)16-9-13-18-17-12-4-5-15-6-8-20(12)13/h11,15H,2-10H2,1H3,(H,16,21)/t11-/m0/s1
InChIKeyVLESHZUSIARVPJ-NSHDSACASA-N
MW292.39 g/mol
LogP-0.62
Rot. Bonds3

About (3S)-1-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)piperidine-3-carboxamide

(3S)-1-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 125177511) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is (3S)-1-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID125177511
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name(3S)-1-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)piperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NCc2nnc3n2CCNCC3)C1
InChIInChI=1S/C14H24N6O/c1-19-7-2-3-11(10-19)14(21)16-9-13-18-17-12-4-5-15-6-8-20(12)13/h11,15H,2-10H2,1H3,(H,16,21)/t11-/m0/s1
InChIKeyVLESHZUSIARVPJ-NSHDSACASA-N
XLogP-0.62
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-1-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 118759795
1-(1-methylpiperidin-3-yl)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 60562914
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
1-(1-methylpiperidin-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 107077372
(3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide
CID 124679845
(3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide
CID 168934298
(3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 138539048
2-methoxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)benzamide
CID 118759606
N-[2-[7-[(2,5-dimethylphenyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-1-methylpiperidine-3-carboxamide
CID 45224450
(3S)-N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-1-methylpiperidine-3-carboxamide
CID 129445770
N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide
CID 129353183
1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one
CID 116918923

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)piperidine-3-carboxamide (CID 125177511) is (3S)-1-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)piperidine-3-carboxamide is CN1CCC[C@H](C(=O)NCc2nnc3n2CCNCC3)C1.
What is the InChIKey of (3S)-1-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is VLESHZUSIARVPJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N6O/c1-19-7-2-3-11(10-19)14(21)16-9-13-18-17-12-4-5-15-6-8-20(12)13/h11,15H,2-10H2,1H3,(H,16,21)/t11-/m0/s1.
What are the key properties of (3S)-1-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)piperidine-3-carboxamide?
(3S)-1-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 292.39 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 125177511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).