(3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide

C15H26N6O — CID 95509747

IUPAC(3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
SMILESCN1CCC(N2CCC[C@@H](C(=O)NCc3ncn[nH]3)C2)CC1
InChIInChI=1S/C15H26N6O/c1-20-7-4-13(5-8-20)21-6-2-3-12(10-21)15(22)16-9-14-17-11-18-19-14/h11-13H,2-10H2,1H3,(H,16,22)(H,17,18,19)/t12-/m1/s1
InChIKeyJZZYPUKMDHUTRB-GFCCVEGCSA-N
MW306.41 g/mol
LogP0.23
Rot. Bonds4

About (3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide

(3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide (PubChem CID 95509747) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is (3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
PubChem CID95509747
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name(3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
SMILESCN1CCC(N2CCC[C@@H](C(=O)NCc3ncn[nH]3)C2)CC1
InChIInChI=1S/C15H26N6O/c1-20-7-4-13(5-8-20)21-6-2-3-12(10-21)15(22)16-9-14-17-11-18-19-14/h11-13H,2-10H2,1H3,(H,16,22)(H,17,18,19)/t12-/m1/s1
InChIKeyJZZYPUKMDHUTRB-GFCCVEGCSA-N
XLogP0.23
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide
CID 62590368
N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 45245237
(3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 95527743
1-(1-methylpiperidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 56877502
N-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 45171198
1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 54885097
(3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 25379572
(3S)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 136858396
(3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 28882866
1-(1-benzylpiperidin-4-yl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide
CID 56857606
(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 95207946
1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 56708032

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide (CID 95509747) is (3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide is CN1CCC(N2CCC[C@@H](C(=O)NCc3ncn[nH]3)C2)CC1.
What is the InChIKey of (3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
The InChIKey is JZZYPUKMDHUTRB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N6O/c1-20-7-4-13(5-8-20)21-6-2-3-12(10-21)15(22)16-9-14-17-11-18-19-14/h11-13H,2-10H2,1H3,(H,16,22)(H,17,18,19)/t12-/m1/s1.
What are the key properties of (3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
(3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95509747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).