N-[(1R)-2-hydroxy-1-phenylethyl]-3-propylpiperidine-3-carboxamide

C17H26N2O2 — CID 107863291

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)N[C@@H](CO)c2ccccc2)CCCNC1
InChIInChI=1S/C17H26N2O2/c1-2-9-17(10-6-11-18-13-17)16(21)19-15(12-20)14-7-4-3-5-8-14/h3-5,7-8,15,18,20H,2,6,9-13H2,1H3,(H,19,21)/t15-,17?/m0/s1
InChIKeyWUHXKXHYOVCIGT-MYJWUSKBSA-N
MW290.41 g/mol
LogP2.01
Rot. Bonds6

About N-[(1R)-2-hydroxy-1-phenylethyl]-3-propylpiperidine-3-carboxamide

N-[(1R)-2-hydroxy-1-phenylethyl]-3-propylpiperidine-3-carboxamide (PubChem CID 107863291) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-3-propylpiperidine-3-carboxamide
PubChem CID107863291
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)N[C@@H](CO)c2ccccc2)CCCNC1
InChIInChI=1S/C17H26N2O2/c1-2-9-17(10-6-11-18-13-17)16(21)19-15(12-20)14-7-4-3-5-8-14/h3-5,7-8,15,18,20H,2,6,9-13H2,1H3,(H,19,21)/t15-,17?/m0/s1
InChIKeyWUHXKXHYOVCIGT-MYJWUSKBSA-N
XLogP2.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-3-propylpiperidine-3-carboxamide (CID 107863291) is N-[(1R)-2-hydroxy-1-phenylethyl]-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)N[C@@H](CO)c2ccccc2)CCCNC1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-3-propylpiperidine-3-carboxamide?
The InChIKey is WUHXKXHYOVCIGT-MYJWUSKBSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-9-17(10-6-11-18-13-17)16(21)19-15(12-20)14-7-4-3-5-8-14/h3-5,7-8,15,18,20H,2,6,9-13H2,1H3,(H,19,21)/t15-,17?/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-3-propylpiperidine-3-carboxamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-3-propylpiperidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 107863291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).