1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide

C13H25N3O3 — CID 62474132

IUPAC1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCOCCC(N)C(=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C13H25N3O3/c1-15(2)12(17)10-4-7-16(8-5-10)13(18)11(14)6-9-19-3/h10-11H,4-9,14H2,1-3H3
InChIKeyCTWBAZWIHCRGMN-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.32
Rot. Bonds5

About 1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide

1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 62474132) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID62474132
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCOCCC(N)C(=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C13H25N3O3/c1-15(2)12(17)10-4-7-16(8-5-10)13(18)11(14)6-9-19-3/h10-11H,4-9,14H2,1-3H3
InChIKeyCTWBAZWIHCRGMN-UHFFFAOYSA-N
XLogP-0.32
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 93370949
4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
CID 64887967
1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 79024849
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one
CID 107217277
2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 66370036
2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methoxybutan-1-one
CID 81465305
2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one
CID 79170242
1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 61162789
1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid
CID 62475203
N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide
CID 62474673
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one
CID 103533201
1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 107471562

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide (CID 62474132) is 1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide is COCCC(N)C(=O)N1CCC(C(=O)N(C)C)CC1.
What is the InChIKey of 1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is CTWBAZWIHCRGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-15(2)12(17)10-4-7-16(8-5-10)13(18)11(14)6-9-19-3/h10-11H,4-9,14H2,1-3H3.
What are the key properties of 1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide?
1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 62474132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).