1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide

C22H31N3O2 — CID 56799433

IUPAC1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(C(=O)N(C3CCCCC3)C3CC3)cc2)C1
InChIInChI=1S/C22H31N3O2/c23-21(26)17-5-4-14-24(15-17)18-10-8-16(9-11-18)22(27)25(20-12-13-20)19-6-2-1-3-7-19/h8-11,17,19-20H,1-7,12-15H2,(H2,23,26)
InChIKeyNRSWEUQECOPCHP-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.33
Rot. Bonds5

About 1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide

1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide (PubChem CID 56799433) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide
PubChem CID56799433
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(C(=O)N(C3CCCCC3)C3CC3)cc2)C1
InChIInChI=1S/C22H31N3O2/c23-21(26)17-5-4-14-24(15-17)18-10-8-16(9-11-18)22(27)25(20-12-13-20)19-6-2-1-3-7-19/h8-11,17,19-20H,1-7,12-15H2,(H2,23,26)
InChIKeyNRSWEUQECOPCHP-UHFFFAOYSA-N
XLogP3.33
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 94467987
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
(3R)-1-(4-nitrophenyl)piperidine-3-carboxamide
CID 33114657
[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl] 4-[(3R)-3-carbamoylpiperidin-1-yl]benzoate
CID 98786593
1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide
CID 138998650
1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 47064463
1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 117008299
1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 47069872
(3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide
CID 97094091
1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 71881920
2-propan-2-yloxyethyl 4-[(3S)-3-carbamoylpiperidin-1-yl]benzoate
CID 94501750
(3S)-1-[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]piperidine-3-carboxamide
CID 51966572

Frequently Asked Questions

What is the IUPAC name of 1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide (CID 56799433) is 1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(C(=O)N(C3CCCCC3)C3CC3)cc2)C1.
What is the InChIKey of 1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide?
The InChIKey is NRSWEUQECOPCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c23-21(26)17-5-4-14-24(15-17)18-10-8-16(9-11-18)22(27)25(20-12-13-20)19-6-2-1-3-7-19/h8-11,17,19-20H,1-7,12-15H2,(H2,23,26).
What are the key properties of 1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide?
1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 56799433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).