N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide

C22H31FN2O2 — CID 109149065

IUPACN-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC1CCCN(C(=O)C2CCC(C(=O)NCCc3ccccc3F)CC2)C1
InChIInChI=1S/C22H31FN2O2/c1-16-5-4-14-25(15-16)22(27)19-10-8-18(9-11-19)21(26)24-13-12-17-6-2-3-7-20(17)23/h2-3,6-7,16,18-19H,4-5,8-15H2,1H3,(H,24,26)
InChIKeySCBPUXJLQHSUFR-UHFFFAOYSA-N
MW374.50 g/mol
LogP3.55
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide

N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109149065) has the molecular formula C22H31FN2O2 and a molecular weight of 374.50 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109149065
Molecular FormulaC22H31FN2O2
Molecular Weight374.50 g/mol
Exact Mass374.24
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC1CCCN(C(=O)C2CCC(C(=O)NCCc3ccccc3F)CC2)C1
InChIInChI=1S/C22H31FN2O2/c1-16-5-4-14-25(15-16)22(27)19-10-8-18(9-11-19)21(26)24-13-12-17-6-2-3-7-20(17)23/h2-3,6-7,16,18-19H,4-5,8-15H2,1H3,(H,24,26)
InChIKeySCBPUXJLQHSUFR-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 807250
4-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 109149064
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147914
N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150123
1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide
CID 72922541
trans-(1S,2S)-N-[2-(2-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95271735
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (CID 109149065) is N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is CC1CCCN(C(=O)C2CCC(C(=O)NCCc3ccccc3F)CC2)C1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is SCBPUXJLQHSUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O2/c1-16-5-4-14-25(15-16)22(27)19-10-8-18(9-11-19)21(26)24-13-12-17-6-2-3-7-20(17)23/h2-3,6-7,16,18-19H,4-5,8-15H2,1H3,(H,24,26).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 374.50 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109149065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).