N-cyclohexyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide

C23H29FN2O2 — CID 45251290

IUPACN-cyclohexyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCN(C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1)C1CCCCC1
InChIInChI=1S/C23H29FN2O2/c1-2-14-26(21-9-4-3-5-10-21)23(28)19-11-12-22(27)25(17-19)15-13-18-7-6-8-20(24)16-18/h1,6-8,16,19,21H,3-5,9-15,17H2
InChIKeyKVXFGZUHUDMORU-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.40
Rot. Bonds6

About N-cyclohexyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide

N-cyclohexyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide (PubChem CID 45251290) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is N-cyclohexyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide
PubChem CID45251290
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC NameN-cyclohexyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCN(C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1)C1CCCCC1
InChIInChI=1S/C23H29FN2O2/c1-2-14-26(21-9-4-3-5-10-21)23(28)19-11-12-22(27)25(17-19)15-13-18-7-6-8-20(24)16-18/h1,6-8,16,19,21H,3-5,9-15,17H2
InChIKeyKVXFGZUHUDMORU-UHFFFAOYSA-N
XLogP3.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide (CID 45251290) is N-cyclohexyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide is C#CCN(C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide?
The InChIKey is KVXFGZUHUDMORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-2-14-26(21-9-4-3-5-10-21)23(28)19-11-12-22(27)25(17-19)15-13-18-7-6-8-20(24)16-18/h1,6-8,16,19,21H,3-5,9-15,17H2.
What are the key properties of N-cyclohexyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide?
N-cyclohexyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide is sourced from PubChem (CID 45251290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).