N-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide

C20H29N5O2 — CID 26344410

IUPACN-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide
SMILESO=C(NCCCO)c1cn([C@@H]2CCCN(CCCc3ccccc3)C2)nn1
InChIInChI=1S/C20H29N5O2/c26-14-6-11-21-20(27)19-16-25(23-22-19)18-10-5-13-24(15-18)12-4-9-17-7-2-1-3-8-17/h1-3,7-8,16,18,26H,4-6,9-15H2,(H,21,27)/t18-/m1/s1
InChIKeyBNGIJQKJUAWCPO-GOSISDBHSA-N
MW371.49 g/mol
LogP1.66
Rot. Bonds9

About N-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide

N-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide (PubChem CID 26344410) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide
PubChem CID26344410
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide
SMILESO=C(NCCCO)c1cn([C@@H]2CCCN(CCCc3ccccc3)C2)nn1
InChIInChI=1S/C20H29N5O2/c26-14-6-11-21-20(27)19-16-25(23-22-19)18-10-5-13-24(15-18)12-4-9-17-7-2-1-3-8-17/h1-3,7-8,16,18,26H,4-6,9-15H2,(H,21,27)/t18-/m1/s1
InChIKeyBNGIJQKJUAWCPO-GOSISDBHSA-N
XLogP1.66
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide
CID 26351057
1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 26281259
[1-[1-(3-phenylpropyl)piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 45216946
1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 45234972
N-(3-hydroxypropyl)-1-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26343328
N-(3-hydroxypropyl)-1-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26343330
N-(3-hydroxypropyl)-1-[1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-4-yl]triazole-4-carboxamide
CID 126464666
1-[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 26354413
N-(3-hydroxypropyl)-1-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 28811962
1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide
CID 42541563
N-(3-hydroxypropyl)-1-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45245179
N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45230197

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide (CID 26344410) is N-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide is O=C(NCCCO)c1cn([C@@H]2CCCN(CCCc3ccccc3)C2)nn1.
What is the InChIKey of N-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide?
The InChIKey is BNGIJQKJUAWCPO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N5O2/c26-14-6-11-21-20(27)19-16-25(23-22-19)18-10-5-13-24(15-18)12-4-9-17-7-2-1-3-8-17/h1-3,7-8,16,18,26H,4-6,9-15H2,(H,21,27)/t18-/m1/s1.
What are the key properties of N-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide?
N-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 26344410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).