N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide

C17H31N3O2 — CID 119478575

IUPACN-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
SMILESCC(C)CC(C(=O)NC1CCC(N)CC1)N1CCCCC1=O
InChIInChI=1S/C17H31N3O2/c1-12(2)11-15(20-10-4-3-5-16(20)21)17(22)19-14-8-6-13(18)7-9-14/h12-15H,3-11,18H2,1-2H3,(H,19,22)
InChIKeyYVFHSPLVUMMUPY-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.80
Rot. Bonds5

About N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide

N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide (PubChem CID 119478575) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
PubChem CID119478575
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
SMILESCC(C)CC(C(=O)NC1CCC(N)CC1)N1CCCCC1=O
InChIInChI=1S/C17H31N3O2/c1-12(2)11-15(20-10-4-3-5-16(20)21)17(22)19-14-8-6-13(18)7-9-14/h12-15H,3-11,18H2,1-2H3,(H,19,22)
InChIKeyYVFHSPLVUMMUPY-UHFFFAOYSA-N
XLogP1.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(2-oxopiperidin-1-yl)-N-piperidin-3-ylpentanamide
CID 119428669
4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride
CID 119464087
N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
CID 75425497
N-(4-aminocyclohexyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 119476626
N-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride
CID 119529433
1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one
CID 71972492
N-(1-aminohexan-2-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride
CID 119668332
1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid
CID 119354643
4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide
CID 75425524
(2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide
CID 97051485
1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one
CID 97051473
N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119478869

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide (CID 119478575) is N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide is CC(C)CC(C(=O)NC1CCC(N)CC1)N1CCCCC1=O.
What is the InChIKey of N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide?
The InChIKey is YVFHSPLVUMMUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-12(2)11-15(20-10-4-3-5-16(20)21)17(22)19-14-8-6-13(18)7-9-14/h12-15H,3-11,18H2,1-2H3,(H,19,22).
What are the key properties of N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide?
N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide has a molecular weight of 309.45 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide is sourced from PubChem (CID 119478575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).