1-(cyclopentanecarbonyl)-N-[(1R)-1-(4-hydroxyphenyl)propyl]piperidine-4-carboxamide

C21H30N2O3 — CID 97189714

IUPAC1-(cyclopentanecarbonyl)-N-[(1R)-1-(4-hydroxyphenyl)propyl]piperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)C1CCN(C(=O)C2CCCC2)CC1)c1ccc(O)cc1
InChIInChI=1S/C21H30N2O3/c1-2-19(15-7-9-18(24)10-8-15)22-20(25)16-11-13-23(14-12-16)21(26)17-5-3-4-6-17/h7-10,16-17,19,24H,2-6,11-14H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyYNSUZFTYHBMEJX-LJQANCHMSA-N
MW358.48 g/mol
LogP3.39
Rot. Bonds5

About 1-(cyclopentanecarbonyl)-N-[(1R)-1-(4-hydroxyphenyl)propyl]piperidine-4-carboxamide

1-(cyclopentanecarbonyl)-N-[(1R)-1-(4-hydroxyphenyl)propyl]piperidine-4-carboxamide (PubChem CID 97189714) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-[(1R)-1-(4-hydroxyphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N-[(1R)-1-(4-hydroxyphenyl)propyl]piperidine-4-carboxamide
PubChem CID97189714
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-(cyclopentanecarbonyl)-N-[(1R)-1-(4-hydroxyphenyl)propyl]piperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)C1CCN(C(=O)C2CCCC2)CC1)c1ccc(O)cc1
InChIInChI=1S/C21H30N2O3/c1-2-19(15-7-9-18(24)10-8-15)22-20(25)16-11-13-23(14-12-16)21(26)17-5-3-4-6-17/h7-10,16-17,19,24H,2-6,11-14H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyYNSUZFTYHBMEJX-LJQANCHMSA-N
XLogP3.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-[(1R)-1-(4-hydroxyphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-N-[(1R)-1-(4-hydroxyphenyl)propyl]piperidine-4-carboxamide (CID 97189714) is 1-(cyclopentanecarbonyl)-N-[(1R)-1-(4-hydroxyphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-[(1R)-1-(4-hydroxyphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N-[(1R)-1-(4-hydroxyphenyl)propyl]piperidine-4-carboxamide is CC[C@@H](NC(=O)C1CCN(C(=O)C2CCCC2)CC1)c1ccc(O)cc1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N-[(1R)-1-(4-hydroxyphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is YNSUZFTYHBMEJX-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-2-19(15-7-9-18(24)10-8-15)22-20(25)16-11-13-23(14-12-16)21(26)17-5-3-4-6-17/h7-10,16-17,19,24H,2-6,11-14H2,1H3,(H,22,25)/t19-/m1/s1.
What are the key properties of 1-(cyclopentanecarbonyl)-N-[(1R)-1-(4-hydroxyphenyl)propyl]piperidine-4-carboxamide?
1-(cyclopentanecarbonyl)-N-[(1R)-1-(4-hydroxyphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N-[(1R)-1-(4-hydroxyphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 97189714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).