1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide

C20H25N5O3 — CID 102551779

IUPAC1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide
SMILESCOc1c(C(=O)N2CCCC(C(=O)NC3CC3)C2)nnn1Cc1ccccc1
InChIInChI=1S/C20H25N5O3/c1-28-20-17(22-23-25(20)12-14-6-3-2-4-7-14)19(27)24-11-5-8-15(13-24)18(26)21-16-9-10-16/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,21,26)
InChIKeyHOKMDBDUXZHNIH-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.47
Rot. Bonds6

About 1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide

1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 102551779) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide
PubChem CID102551779
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide
SMILESCOc1c(C(=O)N2CCCC(C(=O)NC3CC3)C2)nnn1Cc1ccccc1
InChIInChI=1S/C20H25N5O3/c1-28-20-17(22-23-25(20)12-14-6-3-2-4-7-14)19(27)24-11-5-8-15(13-24)18(26)21-16-9-10-16/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,21,26)
InChIKeyHOKMDBDUXZHNIH-UHFFFAOYSA-N
XLogP1.47
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone
CID 91938610
1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide
CID 91938588
[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone
CID 91938550
(3S)-N-cyclopropyl-1-(5-phenylthiadiazole-4-carbonyl)piperidine-3-carboxamide
CID 100815683
N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404586
methyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate
CID 94367293
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229696
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide
CID 55882707
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide
CID 93060233
N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 42780010
(3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide
CID 97315039

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of 1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide (CID 102551779) is 1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for 1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide is COc1c(C(=O)N2CCCC(C(=O)NC3CC3)C2)nnn1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is HOKMDBDUXZHNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-28-20-17(22-23-25(20)12-14-6-3-2-4-7-14)19(27)24-11-5-8-15(13-24)18(26)21-16-9-10-16/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,21,26).
What are the key properties of 1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide?
1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 102551779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).