N-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide

C19H26BrN3O2 — CID 127145539

IUPACN-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1)C1CCCCC1
InChIInChI=1S/C19H26BrN3O2/c20-15-6-8-16(9-7-15)22-19(25)23-12-10-17(11-13-23)21-18(24)14-4-2-1-3-5-14/h6-9,14,17H,1-5,10-13H2,(H,21,24)(H,22,25)
InChIKeyMLQHIISSKDXCIS-UHFFFAOYSA-N
MW408.34 g/mol
LogP4.14
Rot. Bonds3

About N-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide

N-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide (PubChem CID 127145539) has the molecular formula C19H26BrN3O2 and a molecular weight of 408.34 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
PubChem CID127145539
Molecular FormulaC19H26BrN3O2
Molecular Weight408.34 g/mol
Exact Mass407.12
IUPAC NameN-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1)C1CCCCC1
InChIInChI=1S/C19H26BrN3O2/c20-15-6-8-16(9-7-15)22-19(25)23-12-10-17(11-13-23)21-18(24)14-4-2-1-3-5-14/h6-9,14,17H,1-5,10-13H2,(H,21,24)(H,22,25)
InChIKeyMLQHIISSKDXCIS-UHFFFAOYSA-N
XLogP4.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 119049838
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
4-N-cyclohexyl-1-N-(4-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 6486998
N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
CID 24792518
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318514
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185073
(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116250
4-(cyclobutanecarbonylamino)-N-cyclopentylpiperidine-1-carboxamide
CID 110822528
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
N-[4-(cyclopentylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 51085603

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide (CID 127145539) is N-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide is O=C(NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1)C1CCCCC1.
What is the InChIKey of N-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide?
The InChIKey is MLQHIISSKDXCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN3O2/c20-15-6-8-16(9-7-15)22-19(25)23-12-10-17(11-13-23)21-18(24)14-4-2-1-3-5-14/h6-9,14,17H,1-5,10-13H2,(H,21,24)(H,22,25).
What are the key properties of N-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide?
N-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide has a molecular weight of 408.34 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 127145539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).