(3S)-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-3-hydroxypiperidine-1-carboxamide

C19H27FN2O2 — CID 136581348

IUPAC(3S)-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-3-hydroxypiperidine-1-carboxamide
SMILESO=C(NCC1(c2cccc(F)c2)CCCCC1)N1CCC[C@H](O)C1
InChIInChI=1S/C19H27FN2O2/c20-16-7-4-6-15(12-16)19(9-2-1-3-10-19)14-21-18(24)22-11-5-8-17(23)13-22/h4,6-7,12,17,23H,1-3,5,8-11,13-14H2,(H,21,24)/t17-/m0/s1
InChIKeyOTNMKFMSYXEURD-KRWDZBQOSA-N
MW334.44 g/mol
LogP3.19
Rot. Bonds3

About (3S)-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-3-hydroxypiperidine-1-carboxamide

(3S)-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 136581348) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is (3S)-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID136581348
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name(3S)-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-3-hydroxypiperidine-1-carboxamide
SMILESO=C(NCC1(c2cccc(F)c2)CCCCC1)N1CCC[C@H](O)C1
InChIInChI=1S/C19H27FN2O2/c20-16-7-4-6-15(12-16)19(9-2-1-3-10-19)14-21-18(24)22-11-5-8-17(23)13-22/h4,6-7,12,17,23H,1-3,5,8-11,13-14H2,(H,21,24)/t17-/m0/s1
InChIKeyOTNMKFMSYXEURD-KRWDZBQOSA-N
XLogP3.19
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-3-hydroxypiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-3-hydroxypiperidine-1-carboxamide (CID 136581348) is (3S)-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-3-hydroxypiperidine-1-carboxamide is O=C(NCC1(c2cccc(F)c2)CCCCC1)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is OTNMKFMSYXEURD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27FN2O2/c20-16-7-4-6-15(12-16)19(9-2-1-3-10-19)14-21-18(24)22-11-5-8-17(23)13-22/h4,6-7,12,17,23H,1-3,5,8-11,13-14H2,(H,21,24)/t17-/m0/s1.
What are the key properties of (3S)-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-3-hydroxypiperidine-1-carboxamide?
(3S)-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 136581348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).