N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide

C27H35N3O2 — CID 46038316

IUPACN-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C27H35N3O2/c1-20-10-6-7-13-23(20)26(31)28-21-16-18-30(19-17-21)25-15-9-8-14-24(25)27(32)29(2)22-11-4-3-5-12-22/h6-10,13-15,21-22H,3-5,11-12,16-19H2,1-2H3,(H,28,31)
InChIKeyAJXJJVYSUVGTET-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.80
Rot. Bonds5

About N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 46038316) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID46038316
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC NameN-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C27H35N3O2/c1-20-10-6-7-13-23(20)26(31)28-21-16-18-30(19-17-21)25-15-9-8-14-24(25)27(32)29(2)22-11-4-3-5-12-22/h6-10,13-15,21-22H,3-5,11-12,16-19H2,1-2H3,(H,28,31)
InChIKeyAJXJJVYSUVGTET-UHFFFAOYSA-N
XLogP4.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
CID 46038313
2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide
CID 24719023
N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038655
2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
CID 46156224
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93291034
2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide
CID 46037808
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide
CID 46038281
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide
CID 136577669

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide (CID 46038316) is N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)N(C)C2CCCCC2)CC1.
What is the InChIKey of N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is AJXJJVYSUVGTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-20-10-6-7-13-23(20)26(31)28-21-16-18-30(19-17-21)25-15-9-8-14-24(25)27(32)29(2)22-11-4-3-5-12-22/h6-10,13-15,21-22H,3-5,11-12,16-19H2,1-2H3,(H,28,31).
What are the key properties of N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 433.60 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 46038316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).