(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide

C24H30N6O — CID 155542132

IUPAC(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide
SMILESN[C@@H](Cn1cc(-c2ccccc2)nn1)C(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H30N6O/c25-22(17-30-18-23(27-28-30)21-9-5-2-6-10-21)24(31)26-15-19-11-13-29(14-12-19)16-20-7-3-1-4-8-20/h1-10,18-19,22H,11-17,25H2,(H,26,31)/t22-/m0/s1
InChIKeyAENXTCRONWDKIS-QFIPXVFZSA-N
MW418.55 g/mol
LogP2.30
Rot. Bonds8

About (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide

(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide (PubChem CID 155542132) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide
PubChem CID155542132
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide
SMILESN[C@@H](Cn1cc(-c2ccccc2)nn1)C(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H30N6O/c25-22(17-30-18-23(27-28-30)21-9-5-2-6-10-21)24(31)26-15-19-11-13-29(14-12-19)16-20-7-3-1-4-8-20/h1-10,18-19,22H,11-17,25H2,(H,26,31)/t22-/m0/s1
InChIKeyAENXTCRONWDKIS-QFIPXVFZSA-N
XLogP2.30
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Triazole Ligand, 6a
CID 24881257
N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
CID 134136275
N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
CID 134141860
Triazole Ligand, 10a
CID 24881330
(2S)-2-acetamido-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide
CID 155531034
1-[1-(4-methylphenyl)ethyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 6483911
1-Benzyl-4-(4-phenyl-[1,2,3]triazol-1-yl)-piperidine
CID 21219160
(3S,6S,10aS)-N-[(S)-(1-benzyltriazol-4-yl)-phenylmethyl]-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide
CID 24754887
N-(2-phenylphenyl)-8-(4-pyridin-3-yltriazol-1-yl)octanamide
CID 44819697
(2S)-1-[(2S)-2-amino-3-[4-(1-benzyltriazol-4-yl)phenyl]propanoyl]pyrrolidine-2-carbonitrile;hydrochloride
CID 72164808
2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 134154511
N-(3-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
CID 134155075

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide (CID 155542132) is (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide is N[C@@H](Cn1cc(-c2ccccc2)nn1)C(=O)NCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide?
The InChIKey is AENXTCRONWDKIS-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30N6O/c25-22(17-30-18-23(27-28-30)21-9-5-2-6-10-21)24(31)26-15-19-11-13-29(14-12-19)16-20-7-3-1-4-8-20/h1-10,18-19,22H,11-17,25H2,(H,26,31)/t22-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide?
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide has a molecular weight of 418.55 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide is sourced from PubChem (CID 155542132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).