N-cyclohexyl-4-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]piperidine-1-carboxamide

C23H36N4O3 — CID 46381828

IUPACN-cyclohexyl-4-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)c1
InChIInChI=1S/C23H36N4O3/c1-30-21-9-5-6-19(16-21)17-25-22(28)24-13-10-18-11-14-27(15-12-18)23(29)26-20-7-3-2-4-8-20/h5-6,9,16,18,20H,2-4,7-8,10-15,17H2,1H3,(H,26,29)(H2,24,25,28)
InChIKeyIUOMSAROYLTFLV-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.64
Rot. Bonds7

About N-cyclohexyl-4-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]piperidine-1-carboxamide

N-cyclohexyl-4-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]piperidine-1-carboxamide (PubChem CID 46381828) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]piperidine-1-carboxamide
PubChem CID46381828
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC NameN-cyclohexyl-4-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)c1
InChIInChI=1S/C23H36N4O3/c1-30-21-9-5-6-19(16-21)17-25-22(28)24-13-10-18-11-14-27(15-12-18)23(29)26-20-7-3-2-4-8-20/h5-6,9,16,18,20H,2-4,7-8,10-15,17H2,1H3,(H,26,29)(H2,24,25,28)
InChIKeyIUOMSAROYLTFLV-UHFFFAOYSA-N
XLogP3.64
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-4-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]piperidine-1-carboxamide (CID 46381828) is N-cyclohexyl-4-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]piperidine-1-carboxamide is COc1cccc(CNC(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)c1.
What is the InChIKey of N-cyclohexyl-4-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]piperidine-1-carboxamide?
The InChIKey is IUOMSAROYLTFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-30-21-9-5-6-19(16-21)17-25-22(28)24-13-10-18-11-14-27(15-12-18)23(29)26-20-7-3-2-4-8-20/h5-6,9,16,18,20H,2-4,7-8,10-15,17H2,1H3,(H,26,29)(H2,24,25,28).
What are the key properties of N-cyclohexyl-4-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]piperidine-1-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 3.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46381828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).