1-[(1S,3S)-3-hydroxycyclohexanecarbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide

C21H30N2O3 — CID 91769101

IUPAC1-[(1S,3S)-3-hydroxycyclohexanecarbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(C(=O)[C@H]2CCC[C@H](O)C2)CC1
InChIInChI=1S/C21H30N2O3/c24-19-8-4-7-18(15-19)21(26)23-13-10-17(11-14-23)20(25)22-12-9-16-5-2-1-3-6-16/h1-3,5-6,17-19,24H,4,7-15H2,(H,22,25)/t18-,19-/m0/s1
InChIKeyLTRYOONWWWAJQZ-OALUTQOASA-N
MW358.48 g/mol
LogP2.13
Rot. Bonds5

About 1-[(1S,3S)-3-hydroxycyclohexanecarbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide

1-[(1S,3S)-3-hydroxycyclohexanecarbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 91769101) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-[(1S,3S)-3-hydroxycyclohexanecarbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S,3S)-3-hydroxycyclohexanecarbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID91769101
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-[(1S,3S)-3-hydroxycyclohexanecarbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(C(=O)[C@H]2CCC[C@H](O)C2)CC1
InChIInChI=1S/C21H30N2O3/c24-19-8-4-7-18(15-19)21(26)23-13-10-17(11-14-23)20(25)22-12-9-16-5-2-1-3-6-16/h1-3,5-6,17-19,24H,4,7-15H2,(H,22,25)/t18-,19-/m0/s1
InChIKeyLTRYOONWWWAJQZ-OALUTQOASA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S)-3-hydroxycyclohexanecarbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1S,3S)-3-hydroxycyclohexanecarbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide (CID 91769101) is 1-[(1S,3S)-3-hydroxycyclohexanecarbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1S,3S)-3-hydroxycyclohexanecarbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1S,3S)-3-hydroxycyclohexanecarbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(C(=O)[C@H]2CCC[C@H](O)C2)CC1.
What is the InChIKey of 1-[(1S,3S)-3-hydroxycyclohexanecarbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is LTRYOONWWWAJQZ-OALUTQOASA-N. The full InChI is InChI=1S/C21H30N2O3/c24-19-8-4-7-18(15-19)21(26)23-13-10-17(11-14-23)20(25)22-12-9-16-5-2-1-3-6-16/h1-3,5-6,17-19,24H,4,7-15H2,(H,22,25)/t18-,19-/m0/s1.
What are the key properties of 1-[(1S,3S)-3-hydroxycyclohexanecarbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
1-[(1S,3S)-3-hydroxycyclohexanecarbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S)-3-hydroxycyclohexanecarbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 91769101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).