N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide

C19H25F2N3O2 — CID 118785738

IUPACN-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(F)(F)CC2)cc1NC(=O)C1CCCC1
InChIInChI=1S/C19H25F2N3O2/c1-13-6-7-15(12-16(13)23-17(25)14-4-2-3-5-14)22-18(26)24-10-8-19(20,21)9-11-24/h6-7,12,14H,2-5,8-11H2,1H3,(H,22,26)(H,23,25)
InChIKeyHXOYIPYGGPCGDJ-UHFFFAOYSA-N
MW365.42 g/mol
LogP4.39
Rot. Bonds3

About N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide

N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide (PubChem CID 118785738) has the molecular formula C19H25F2N3O2 and a molecular weight of 365.42 g/mol. Its IUPAC name is N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide
PubChem CID118785738
Molecular FormulaC19H25F2N3O2
Molecular Weight365.42 g/mol
Exact Mass365.19
IUPAC NameN-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(F)(F)CC2)cc1NC(=O)C1CCCC1
InChIInChI=1S/C19H25F2N3O2/c1-13-6-7-15(12-16(13)23-17(25)14-4-2-3-5-14)22-18(26)24-10-8-19(20,21)9-11-24/h6-7,12,14H,2-5,8-11H2,1H3,(H,22,26)(H,23,25)
InChIKeyHXOYIPYGGPCGDJ-UHFFFAOYSA-N
XLogP4.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 74242754
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153
4-(azepan-1-ylmethyl)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]piperidine-1-carboxamide
CID 47041694
(2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 131898261
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
(2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 52501690
N-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide
CID 125169332
(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide
CID 27806673
(1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 98092900
(1S,6R)-N-[3-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 1113205
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide
CID 131911889

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide?
The IUPAC name of N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide (CID 118785738) is N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide?
The canonical SMILES for N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(F)(F)CC2)cc1NC(=O)C1CCCC1.
What is the InChIKey of N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide?
The InChIKey is HXOYIPYGGPCGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O2/c1-13-6-7-15(12-16(13)23-17(25)14-4-2-3-5-14)22-18(26)24-10-8-19(20,21)9-11-24/h6-7,12,14H,2-5,8-11H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide?
N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide is sourced from PubChem (CID 118785738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).