4-hydroxy-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-phenylpiperidine-1-carboxamide

C20H29N5O2 — CID 125448737

IUPAC4-hydroxy-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-phenylpiperidine-1-carboxamide
SMILESCC(C)C[C@@H](NC(=O)N1CCC(O)(c2ccccc2)CC1)c1ncnn1C
InChIInChI=1S/C20H29N5O2/c1-15(2)13-17(18-21-14-22-24(18)3)23-19(26)25-11-9-20(27,10-12-25)16-7-5-4-6-8-16/h4-8,14-15,17,27H,9-13H2,1-3H3,(H,23,26)/t17-/m1/s1
InChIKeyGNRXQSWUVJIUKP-QGZVFWFLSA-N
MW371.49 g/mol
LogP2.60
Rot. Bonds5

About 4-hydroxy-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-phenylpiperidine-1-carboxamide

4-hydroxy-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-phenylpiperidine-1-carboxamide (PubChem CID 125448737) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-hydroxy-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-phenylpiperidine-1-carboxamide
PubChem CID125448737
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name4-hydroxy-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-phenylpiperidine-1-carboxamide
SMILESCC(C)C[C@@H](NC(=O)N1CCC(O)(c2ccccc2)CC1)c1ncnn1C
InChIInChI=1S/C20H29N5O2/c1-15(2)13-17(18-21-14-22-24(18)3)23-19(26)25-11-9-20(27,10-12-25)16-7-5-4-6-8-16/h4-8,14-15,17,27H,9-13H2,1-3H3,(H,23,26)/t17-/m1/s1
InChIKeyGNRXQSWUVJIUKP-QGZVFWFLSA-N
XLogP2.60
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-phenylpiperidine-1-carboxamide (CID 125448737) is 4-hydroxy-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-phenylpiperidine-1-carboxamide is CC(C)C[C@@H](NC(=O)N1CCC(O)(c2ccccc2)CC1)c1ncnn1C.
What is the InChIKey of 4-hydroxy-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-phenylpiperidine-1-carboxamide?
The InChIKey is GNRXQSWUVJIUKP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15(2)13-17(18-21-14-22-24(18)3)23-19(26)25-11-9-20(27,10-12-25)16-7-5-4-6-8-16/h4-8,14-15,17,27H,9-13H2,1-3H3,(H,23,26)/t17-/m1/s1.
What are the key properties of 4-hydroxy-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-phenylpiperidine-1-carboxamide?
4-hydroxy-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-phenylpiperidine-1-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 125448737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).