N-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide

C33H55N3O2 — CID 173155726

IUPACN-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(CCC2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C33H55N3O2/c1-2-3-4-5-6-7-8-9-10-14-25-34-32(37)30-21-19-28(20-22-30)17-18-29-23-26-36(27-24-29)33(38)35-31-15-12-11-13-16-31/h19-22,29,31H,2-18,23-27H2,1H3,(H,34,37)(H,35,38)
InChIKeyQCSSTQZBECGKHD-UHFFFAOYSA-N
MW525.82 g/mol
LogP8.02
Rot. Bonds16

About N-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide

N-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide (PubChem CID 173155726) has the molecular formula C33H55N3O2 and a molecular weight of 525.82 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide
PubChem CID173155726
Molecular FormulaC33H55N3O2
Molecular Weight525.82 g/mol
Exact Mass525.43
IUPAC NameN-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(CCC2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C33H55N3O2/c1-2-3-4-5-6-7-8-9-10-14-25-34-32(37)30-21-19-28(20-22-30)17-18-29-23-26-36(27-24-29)33(38)35-31-15-12-11-13-16-31/h19-22,29,31H,2-18,23-27H2,1H3,(H,34,37)(H,35,38)
InChIKeyQCSSTQZBECGKHD-UHFFFAOYSA-N
XLogP8.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.82
LogP ≤ 58.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-[[[4-(dodecylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxamide
CID 141123264
tert-butyl 4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxylate
CID 173155736
N-cyclohexyl-4-[2-[(4-ethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide
CID 46381876
N-cyclohexyl-4-[2-[(4-propylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide
CID 46381899
4-butyl-N-cyclopentylbenzamide
CID 60674795
6-chloro-N-[2-[1-(cyclohexylcarbamoyl)piperidin-4-yl]ethyl]pyridine-3-carboxamide
CID 46381858
N-cyclohexyl-4-(4-pentylphenyl)benzamide
CID 3315464
N-hexyl-4-propylbenzamide
CID 70894310
N-pentyl-4-propylbenzamide
CID 70894308
N-cyclohexyl-4-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057680
N-cyclohexyl-4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxamide
CID 3676198
N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110813431

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide (CID 173155726) is N-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide is CCCCCCCCCCCCNC(=O)c1ccc(CCC2CCN(C(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide?
The InChIKey is QCSSTQZBECGKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H55N3O2/c1-2-3-4-5-6-7-8-9-10-14-25-34-32(37)30-21-19-28(20-22-30)17-18-29-23-26-36(27-24-29)33(38)35-31-15-12-11-13-16-31/h19-22,29,31H,2-18,23-27H2,1H3,(H,34,37)(H,35,38).
What are the key properties of N-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide has a molecular weight of 525.82 g/mol, XLogP of 8.02, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 173155726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).