1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide

C22H31N5O — CID 97342736

IUPAC1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide
SMILESCC(C)CN1CCC(C(=O)N[C@H]2CCc3nnc(-c4ccccc4)n3C2)CC1
InChIInChI=1S/C22H31N5O/c1-16(2)14-26-12-10-18(11-13-26)22(28)23-19-8-9-20-24-25-21(27(20)15-19)17-6-4-3-5-7-17/h3-7,16,18-19H,8-15H2,1-2H3,(H,23,28)/t19-/m0/s1
InChIKeyANXRKKBZAYGGSB-IBGZPJMESA-N
MW381.52 g/mol
LogP2.74
Rot. Bonds5

About 1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide

1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide (PubChem CID 97342736) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide
PubChem CID97342736
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide
SMILESCC(C)CN1CCC(C(=O)N[C@H]2CCc3nnc(-c4ccccc4)n3C2)CC1
InChIInChI=1S/C22H31N5O/c1-16(2)14-26-12-10-18(11-13-26)22(28)23-19-8-9-20-24-25-21(27(20)15-19)17-6-4-3-5-7-17/h3-7,16,18-19H,8-15H2,1-2H3,(H,23,28)/t19-/m0/s1
InChIKeyANXRKKBZAYGGSB-IBGZPJMESA-N
XLogP2.74
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide
CID 97342704
cis-(1R,3S)-3-[[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066761
(E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide
CID 75473558
1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide
CID 95148105
N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(2-methoxyphenyl)acetamide
CID 97346535
N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2-dimethylpropanamide
CID 97346541
(2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367932
1-ethyl-N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclobutane-1-carboxamide
CID 136521813
N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 136546232
(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 174863774
1-(2-methylpropyl)-N'-(4-methylquinolin-2-yl)piperidine-4-carbohydrazide
CID 166378583
N-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide
CID 166280089

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide (CID 97342736) is 1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide is CC(C)CN1CCC(C(=O)N[C@H]2CCc3nnc(-c4ccccc4)n3C2)CC1.
What is the InChIKey of 1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide?
The InChIKey is ANXRKKBZAYGGSB-IBGZPJMESA-N. The full InChI is InChI=1S/C22H31N5O/c1-16(2)14-26-12-10-18(11-13-26)22(28)23-19-8-9-20-24-25-21(27(20)15-19)17-6-4-3-5-7-17/h3-7,16,18-19H,8-15H2,1-2H3,(H,23,28)/t19-/m0/s1.
What are the key properties of 1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide?
1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 97342736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).