N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide

C16H29N3O2 — CID 119313809

IUPACN-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide
SMILESO=C(CC1CCCCC1)NCCNC(=O)C1CCNCC1
InChIInChI=1S/C16H29N3O2/c20-15(12-13-4-2-1-3-5-13)18-10-11-19-16(21)14-6-8-17-9-7-14/h13-14,17H,1-12H2,(H,18,20)(H,19,21)
InChIKeyVFUYGRWNPNGZFL-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.19
Rot. Bonds6

About N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide

N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide (PubChem CID 119313809) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide
PubChem CID119313809
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide
SMILESO=C(CC1CCCCC1)NCCNC(=O)C1CCNCC1
InChIInChI=1S/C16H29N3O2/c20-15(12-13-4-2-1-3-5-13)18-10-11-19-16(21)14-6-8-17-9-7-14/h13-14,17H,1-12H2,(H,18,20)(H,19,21)
InChIKeyVFUYGRWNPNGZFL-UHFFFAOYSA-N
XLogP1.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.19
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

methyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate
CID 91646964
2-cycloheptyl-N-(piperidin-4-ylmethyl)acetamide
CID 115736681
N-(2-piperidin-4-ylethyl)cycloheptanecarboxamide
CID 62587221
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588
N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015576
2-cyclohexyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260693
2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557821
N-(3-cyclohexyloxypropyl)-2-piperidin-4-ylacetamide
CID 61275990
2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393131
4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide
CID 119502006
2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide
CID 119534347

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide (CID 119313809) is N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide is O=C(CC1CCCCC1)NCCNC(=O)C1CCNCC1.
What is the InChIKey of N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide?
The InChIKey is VFUYGRWNPNGZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c20-15(12-13-4-2-1-3-5-13)18-10-11-19-16(21)14-6-8-17-9-7-14/h13-14,17H,1-12H2,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide?
N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 119313809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).