4-(4-fluoroanilino)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide

C27H36FN3O — CID 152783096

IUPAC4-(4-fluoroanilino)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide
SMILESC[C@@H]1CCCN(Cc2ccc(N(C)C(=O)C3CCC(Nc4ccc(F)cc4)CC3)cc2)C1
InChIInChI=1S/C27H36FN3O/c1-20-4-3-17-31(18-20)19-21-5-15-26(16-6-21)30(2)27(32)22-7-11-24(12-8-22)29-25-13-9-23(28)10-14-25/h5-6,9-10,13-16,20,22,24,29H,3-4,7-8,11-12,17-19H2,1-2H3/t20-,22?,24?/m1/s1
InChIKeyRPXBVIBEQJIQBS-CKQIISDPSA-N
MW437.60 g/mol
LogP5.69
Rot. Bonds6

About 4-(4-fluoroanilino)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide

4-(4-fluoroanilino)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide (PubChem CID 152783096) has the molecular formula C27H36FN3O and a molecular weight of 437.60 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluoroanilino)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide
PubChem CID152783096
Molecular FormulaC27H36FN3O
Molecular Weight437.60 g/mol
Exact Mass437.28
IUPAC Name4-(4-fluoroanilino)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide
SMILESC[C@@H]1CCCN(Cc2ccc(N(C)C(=O)C3CCC(Nc4ccc(F)cc4)CC3)cc2)C1
InChIInChI=1S/C27H36FN3O/c1-20-4-3-17-31(18-20)19-21-5-15-26(16-6-21)30(2)27(32)22-7-11-24(12-8-22)29-25-13-9-23(28)10-14-25/h5-6,9-10,13-16,20,22,24,29H,3-4,7-8,11-12,17-19H2,1-2H3/t20-,22?,24?/m1/s1
InChIKeyRPXBVIBEQJIQBS-CKQIISDPSA-N
XLogP5.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.60
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluoroanilino)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

(3R)-1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 100777740
4-(4-fluorophenyl)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]piperidine-1-carboxamide
CID 58509859
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
(2S)-4-[[4-[[4-(4-fluoroanilino)piperidine-1-carbonyl]-methylamino]phenyl]methyl]-2-methylpiperazine-1-carboxylic acid
CID 66670776
4-(4-fluorophenoxy)-N-methyl-N-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide
CID 147264658
N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283469
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99946484
4-[(3-methylpiperidin-1-yl)methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 83960996
1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 133159211
(3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 100777734
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
4-(4-cyanoanilino)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]piperidine-1-carboxamide
CID 23661376

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(4-fluoroanilino)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide (CID 152783096) is 4-(4-fluoroanilino)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-fluoroanilino)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-fluoroanilino)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide is C[C@@H]1CCCN(Cc2ccc(N(C)C(=O)C3CCC(Nc4ccc(F)cc4)CC3)cc2)C1.
What is the InChIKey of 4-(4-fluoroanilino)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is RPXBVIBEQJIQBS-CKQIISDPSA-N. The full InChI is InChI=1S/C27H36FN3O/c1-20-4-3-17-31(18-20)19-21-5-15-26(16-6-21)30(2)27(32)22-7-11-24(12-8-22)29-25-13-9-23(28)10-14-25/h5-6,9-10,13-16,20,22,24,29H,3-4,7-8,11-12,17-19H2,1-2H3/t20-,22?,24?/m1/s1.
What are the key properties of 4-(4-fluoroanilino)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide?
4-(4-fluoroanilino)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide has a molecular weight of 437.60 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 152783096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).