N-cyclohexyl-4-[[[4-(dodecylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxamide

C33H56N4O2 — CID 141123264

IUPACN-cyclohexyl-4-[[[4-(dodecylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(CNCC2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C33H56N4O2/c1-2-3-4-5-6-7-8-9-10-14-23-35-32(38)30-19-17-28(18-20-30)26-34-27-29-21-24-37(25-22-29)33(39)36-31-15-12-11-13-16-31/h17-20,29,31,34H,2-16,21-27H2,1H3,(H,35,38)(H,36,39)
InChIKeyBBARWDBEHVIDFU-UHFFFAOYSA-N
MW540.84 g/mol
LogP7.18
Rot. Bonds17

About N-cyclohexyl-4-[[[4-(dodecylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxamide

N-cyclohexyl-4-[[[4-(dodecylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxamide (PubChem CID 141123264) has the molecular formula C33H56N4O2 and a molecular weight of 540.84 g/mol. Its IUPAC name is N-cyclohexyl-4-[[[4-(dodecylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[[4-(dodecylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxamide
PubChem CID141123264
Molecular FormulaC33H56N4O2
Molecular Weight540.84 g/mol
Exact Mass540.44
IUPAC NameN-cyclohexyl-4-[[[4-(dodecylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(CNCC2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C33H56N4O2/c1-2-3-4-5-6-7-8-9-10-14-23-35-32(38)30-19-17-28(18-20-30)26-34-27-29-21-24-37(25-22-29)33(39)36-31-15-12-11-13-16-31/h17-20,29,31,34H,2-16,21-27H2,1H3,(H,35,38)(H,36,39)
InChIKeyBBARWDBEHVIDFU-UHFFFAOYSA-N
XLogP7.18
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.84
LogP ≤ 57.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide
CID 173155726
N-cyclohexyl-4-[2-[(4-ethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide
CID 46381876
N-dodecyl-4-[[[1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidin-4-yl]methylamino]methyl]benzamide
CID 69292697
N-cyclohexyl-4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxamide
CID 3676198
N-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057667
tert-butyl 4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxylate
CID 173155736
N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057684
4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 55558062
4-N-cyclopentyl-1-N-propylbenzene-1,4-dicarboxamide
CID 109042876
4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide
CID 3216036
N-hexyl-4-[(propan-2-ylamino)methyl]benzamide
CID 171639539
6-chloro-N-[2-[1-(cyclohexylcarbamoyl)piperidin-4-yl]ethyl]pyridine-3-carboxamide
CID 46381858

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[[4-(dodecylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[[[4-(dodecylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxamide (CID 141123264) is N-cyclohexyl-4-[[[4-(dodecylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[[[4-(dodecylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[[[4-(dodecylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxamide is CCCCCCCCCCCCNC(=O)c1ccc(CNCC2CCN(C(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[[[4-(dodecylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxamide?
The InChIKey is BBARWDBEHVIDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56N4O2/c1-2-3-4-5-6-7-8-9-10-14-23-35-32(38)30-19-17-28(18-20-30)26-34-27-29-21-24-37(25-22-29)33(39)36-31-15-12-11-13-16-31/h17-20,29,31,34H,2-16,21-27H2,1H3,(H,35,38)(H,36,39).
What are the key properties of N-cyclohexyl-4-[[[4-(dodecylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[[[4-(dodecylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxamide has a molecular weight of 540.84 g/mol, XLogP of 7.18, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[[4-(dodecylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 141123264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).