N-[[1-(2-amino-2-oxoethyl)cyclohexyl]methyl]-2-(cyclobutylmethyl)piperidine-1-carboxamide

C20H35N3O2 — CID 154787814

IUPACN-[[1-(2-amino-2-oxoethyl)cyclohexyl]methyl]-2-(cyclobutylmethyl)piperidine-1-carboxamide
SMILESNC(=O)CC1(CNC(=O)N2CCCCC2CC2CCC2)CCCCC1
InChIInChI=1S/C20H35N3O2/c21-18(24)14-20(10-3-1-4-11-20)15-22-19(25)23-12-5-2-9-17(23)13-16-7-6-8-16/h16-17H,1-15H2,(H2,21,24)(H,22,25)
InChIKeyLUTDARKHRASLHG-UHFFFAOYSA-N
MW349.52 g/mol
LogP3.57
Rot. Bonds6

About N-[[1-(2-amino-2-oxoethyl)cyclohexyl]methyl]-2-(cyclobutylmethyl)piperidine-1-carboxamide

N-[[1-(2-amino-2-oxoethyl)cyclohexyl]methyl]-2-(cyclobutylmethyl)piperidine-1-carboxamide (PubChem CID 154787814) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is N-[[1-(2-amino-2-oxoethyl)cyclohexyl]methyl]-2-(cyclobutylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-amino-2-oxoethyl)cyclohexyl]methyl]-2-(cyclobutylmethyl)piperidine-1-carboxamide
PubChem CID154787814
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC NameN-[[1-(2-amino-2-oxoethyl)cyclohexyl]methyl]-2-(cyclobutylmethyl)piperidine-1-carboxamide
SMILESNC(=O)CC1(CNC(=O)N2CCCCC2CC2CCC2)CCCCC1
InChIInChI=1S/C20H35N3O2/c21-18(24)14-20(10-3-1-4-11-20)15-22-19(25)23-12-5-2-9-17(23)13-16-7-6-8-16/h16-17H,1-15H2,(H2,21,24)(H,22,25)
InChIKeyLUTDARKHRASLHG-UHFFFAOYSA-N
XLogP3.57
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-amino-2-oxoethyl)cyclohexyl]methyl]-2-(cyclobutylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[[1-(2-amino-2-oxoethyl)cyclohexyl]methyl]-2-(cyclobutylmethyl)piperidine-1-carboxamide (CID 154787814) is N-[[1-(2-amino-2-oxoethyl)cyclohexyl]methyl]-2-(cyclobutylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[1-(2-amino-2-oxoethyl)cyclohexyl]methyl]-2-(cyclobutylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[[1-(2-amino-2-oxoethyl)cyclohexyl]methyl]-2-(cyclobutylmethyl)piperidine-1-carboxamide is NC(=O)CC1(CNC(=O)N2CCCCC2CC2CCC2)CCCCC1.
What is the InChIKey of N-[[1-(2-amino-2-oxoethyl)cyclohexyl]methyl]-2-(cyclobutylmethyl)piperidine-1-carboxamide?
The InChIKey is LUTDARKHRASLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c21-18(24)14-20(10-3-1-4-11-20)15-22-19(25)23-12-5-2-9-17(23)13-16-7-6-8-16/h16-17H,1-15H2,(H2,21,24)(H,22,25).
What are the key properties of N-[[1-(2-amino-2-oxoethyl)cyclohexyl]methyl]-2-(cyclobutylmethyl)piperidine-1-carboxamide?
N-[[1-(2-amino-2-oxoethyl)cyclohexyl]methyl]-2-(cyclobutylmethyl)piperidine-1-carboxamide has a molecular weight of 349.52 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-amino-2-oxoethyl)cyclohexyl]methyl]-2-(cyclobutylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 154787814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).