4-[2-(tert-butylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide

C19H36N4O2 — CID 46381837

IUPAC4-[2-(tert-butylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C19H36N4O2/c1-19(2,3)22-17(24)20-12-9-15-10-13-23(14-11-15)18(25)21-16-7-5-4-6-8-16/h15-16H,4-14H2,1-3H3,(H,21,25)(H2,20,22,24)
InChIKeyGPDWGFALTFKWPN-UHFFFAOYSA-N
MW352.52 g/mol
LogP3.23
Rot. Bonds4

About 4-[2-(tert-butylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide

4-[2-(tert-butylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide (PubChem CID 46381837) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 4-[2-(tert-butylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(tert-butylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide
PubChem CID46381837
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Name4-[2-(tert-butylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C19H36N4O2/c1-19(2,3)22-17(24)20-12-9-15-10-13-23(14-11-15)18(25)21-16-7-5-4-6-8-16/h15-16H,4-14H2,1-3H3,(H,21,25)(H2,20,22,24)
InChIKeyGPDWGFALTFKWPN-UHFFFAOYSA-N
XLogP3.23
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-4-methylpiperidine-1-carboxamide
CID 4207227
N-(2-methoxyphenyl)-1,2-dimethyl-5-[4-methyl-5-(morpholin-4-ylcarbonyl)-1,3-thiazol-2-yl]-1H-pyrrole-3-sulfonamide
CID 46381822
N-Cyclohexyl-4-{2-[(cyclopentylcarbamoyl)amino]ethyl}piperidine-1-carboxamide
CID 46381823
4-(2-{[(sec-butylamino)carbonyl]amino}ethyl)-N-cyclohexyltetrahydro-1(2H)-pyridinecarboxamide
CID 46381831
N-Cyclohexyl-4-(2-{[(3-methylbutyl)carbamoyl]amino}ethyl)piperidine-1-carboxamide
CID 46381832
N-Cyclohexyl-4-{2-[(cyclohexylcarbamoyl)amino]ethyl}piperidine-1-carboxamide
CID 46381833
N~1~-cyclohexyl-4-[2-(isobutyrylamino)ethyl]tetrahydro-1(2H)-pyridinecarboxamide
CID 46381862
N-Cyclohexyl-4-(2-propanamidoethyl)piperidine-1-carboxamide
CID 46381869
N~1~-Cyclohexyl-4-{2-[(3-methylbutanoyl)amino]ethyl}tetrahydro-1(2H)-pyridinecarboxamide
CID 46381879
N-Cyclohexyl-4-[2-(2-ethylbutanamido)ethyl]piperidine-1-carboxamide
CID 46381881
N-(tert-butyl)-4-((3-ethylureido)methyl)piperidine-1-carboxamide
CID 49688113
4-[1-(Tert-butylcarbamoyl)pyrrolidin-3-YL]-N-methylpiperidine-1-carboxamide
CID 91910237

Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-(tert-butylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide (CID 46381837) is 4-[2-(tert-butylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(tert-butylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-(tert-butylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide is CC(C)(C)NC(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-[2-(tert-butylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide?
The InChIKey is GPDWGFALTFKWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-19(2,3)22-17(24)20-12-9-15-10-13-23(14-11-15)18(25)21-16-7-5-4-6-8-16/h15-16H,4-14H2,1-3H3,(H,21,25)(H2,20,22,24).
What are the key properties of 4-[2-(tert-butylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide?
4-[2-(tert-butylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide has a molecular weight of 352.52 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide is sourced from PubChem (CID 46381837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).