N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C24H35FN4O2 — CID 55802360

IUPACN-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCN(c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1F)C1CCCCC1
InChIInChI=1S/C24H35FN4O2/c1-27(20-7-3-2-4-8-20)22-10-9-19(17-21(22)25)26-23(30)18-11-15-29(16-12-18)24(31)28-13-5-6-14-28/h9-10,17-18,20H,2-8,11-16H2,1H3,(H,26,30)
InChIKeyUJCVTDHBMYVQTJ-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.46
Rot. Bonds4

About N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55802360) has the molecular formula C24H35FN4O2 and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID55802360
Molecular FormulaC24H35FN4O2
Molecular Weight430.57 g/mol
Exact Mass430.27
IUPAC NameN-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCN(c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1F)C1CCCCC1
InChIInChI=1S/C24H35FN4O2/c1-27(20-7-3-2-4-8-20)22-10-9-19(17-21(22)25)26-23(30)18-11-15-29(16-12-18)24(31)28-13-5-6-14-28/h9-10,17-18,20H,2-8,11-16H2,1H3,(H,26,30)
InChIKeyUJCVTDHBMYVQTJ-UHFFFAOYSA-N
XLogP4.46
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55802327
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-4-methyl-1,4-diazepane-1-carboxamide
CID 75369272
2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid
CID 122110170
1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide
CID 86819884
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(3-ethyl-4-hydroxypyrrolidin-1-yl)-2-oxoacetamide
CID 146086780
N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532
(3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97258239
N-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 91651859
2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 122110171
N-(3-amino-4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 119419829
N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113008986
3-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 51118786

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 55802360) is N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is CN(c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1F)C1CCCCC1.
What is the InChIKey of N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is UJCVTDHBMYVQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN4O2/c1-27(20-7-3-2-4-8-20)22-10-9-19(17-21(22)25)26-23(30)18-11-15-29(16-12-18)24(31)28-13-5-6-14-28/h9-10,17-18,20H,2-8,11-16H2,1H3,(H,26,30).
What are the key properties of N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55802360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).