2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride

C18H28ClN3O3 — CID 119724605

IUPAC2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-4-10-18(2,19)17(23)20-13-8-9-15(24-3)14(12-13)21-11-6-5-7-16(21)22;/h8-9,12H,4-7,10-11,19H2,1-3H3,(H,20,23);1H
InChIKeyJFPLNSFWYCNTBP-UHFFFAOYSA-N
MW369.89 g/mol
LogP3.09
Rot. Bonds6

About 2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride

2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride (PubChem CID 119724605) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is 2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride
PubChem CID119724605
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-4-10-18(2,19)17(23)20-13-8-9-15(24-3)14(12-13)21-11-6-5-7-16(21)22;/h8-9,12H,4-7,10-11,19H2,1-3H3,(H,20,23);1H
InChIKeyJFPLNSFWYCNTBP-UHFFFAOYSA-N
XLogP3.09
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
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2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
CID 119790374
2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 146136090
2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide
CID 119677476
4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122076240
2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120985846
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
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CID 55691831
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 119290092
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dipropoxybenzamide
CID 55657151
2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride (CID 119724605) is 2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1.Cl.
What is the InChIKey of 2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride?
The InChIKey is JFPLNSFWYCNTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-4-10-18(2,19)17(23)20-13-8-9-15(24-3)14(12-13)21-11-6-5-7-16(21)22;/h8-9,12H,4-7,10-11,19H2,1-3H3,(H,20,23);1H.
What are the key properties of 2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride?
2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119724605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).