4-hydroxy-N-[(3S)-3-phenylpiperidin-3-yl]cyclohexane-1-carboxamide

C18H26N2O2 — CID 69088713

IUPAC4-hydroxy-N-[(3S)-3-phenylpiperidin-3-yl]cyclohexane-1-carboxamide
SMILESO=C(N[C@]1(c2ccccc2)CCCNC1)C1CCC(O)CC1
InChIInChI=1S/C18H26N2O2/c21-16-9-7-14(8-10-16)17(22)20-18(11-4-12-19-13-18)15-5-2-1-3-6-15/h1-3,5-6,14,16,19,21H,4,7-13H2,(H,20,22)/t14?,16?,18-/m1/s1
InChIKeyQRYBVSQUBVANEP-JFUPDXTOSA-N
MW302.42 g/mol
LogP1.93
Rot. Bonds3

About 4-hydroxy-N-[(3S)-3-phenylpiperidin-3-yl]cyclohexane-1-carboxamide

4-hydroxy-N-[(3S)-3-phenylpiperidin-3-yl]cyclohexane-1-carboxamide (PubChem CID 69088713) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-hydroxy-N-[(3S)-3-phenylpiperidin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(3S)-3-phenylpiperidin-3-yl]cyclohexane-1-carboxamide
PubChem CID69088713
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-hydroxy-N-[(3S)-3-phenylpiperidin-3-yl]cyclohexane-1-carboxamide
SMILESO=C(N[C@]1(c2ccccc2)CCCNC1)C1CCC(O)CC1
InChIInChI=1S/C18H26N2O2/c21-16-9-7-14(8-10-16)17(22)20-18(11-4-12-19-13-18)15-5-2-1-3-6-15/h1-3,5-6,14,16,19,21H,4,7-13H2,(H,20,22)/t14?,16?,18-/m1/s1
InChIKeyQRYBVSQUBVANEP-JFUPDXTOSA-N
XLogP1.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(3S)-3-phenylpiperidin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[(3S)-3-phenylpiperidin-3-yl]cyclohexane-1-carboxamide (CID 69088713) is 4-hydroxy-N-[(3S)-3-phenylpiperidin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(3S)-3-phenylpiperidin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(3S)-3-phenylpiperidin-3-yl]cyclohexane-1-carboxamide is O=C(N[C@]1(c2ccccc2)CCCNC1)C1CCC(O)CC1.
What is the InChIKey of 4-hydroxy-N-[(3S)-3-phenylpiperidin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is QRYBVSQUBVANEP-JFUPDXTOSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-16-9-7-14(8-10-16)17(22)20-18(11-4-12-19-13-18)15-5-2-1-3-6-15/h1-3,5-6,14,16,19,21H,4,7-13H2,(H,20,22)/t14?,16?,18-/m1/s1.
What are the key properties of 4-hydroxy-N-[(3S)-3-phenylpiperidin-3-yl]cyclohexane-1-carboxamide?
4-hydroxy-N-[(3S)-3-phenylpiperidin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(3S)-3-phenylpiperidin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 69088713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).