N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide

C16H30N4O2 — CID 131908174

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCN1CCN(C)C(CNC(=O)CCCN2CCCCC2=O)C1
InChIInChI=1S/C16H30N4O2/c1-18-10-11-19(2)14(13-18)12-17-15(21)6-5-9-20-8-4-3-7-16(20)22/h14H,3-13H2,1-2H3,(H,17,21)
InChIKeyZBHYZPJOXMVUAR-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.14
Rot. Bonds6

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide (PubChem CID 131908174) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
PubChem CID131908174
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCN1CCN(C)C(CNC(=O)CCCN2CCCCC2=O)C1
InChIInChI=1S/C16H30N4O2/c1-18-10-11-19(2)14(13-18)12-17-15(21)6-5-9-20-8-4-3-7-16(20)22/h14H,3-13H2,1-2H3,(H,17,21)
InChIKeyZBHYZPJOXMVUAR-UHFFFAOYSA-N
XLogP0.14
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide
CID 107910113
N-[(1-methylcyclopentyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131926304
5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide
CID 82688861
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842029
N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide
CID 167261062
N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131910183
4-(2-oxoazepan-1-yl)butanamide
CID 90945049
2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63896375
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride
CID 154898599
1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid
CID 56702528

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide (CID 131908174) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide is CN1CCN(C)C(CNC(=O)CCCN2CCCCC2=O)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
The InChIKey is ZBHYZPJOXMVUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-18-10-11-19(2)14(13-18)12-17-15(21)6-5-9-20-8-4-3-7-16(20)22/h14H,3-13H2,1-2H3,(H,17,21).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide has a molecular weight of 310.44 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide is sourced from PubChem (CID 131908174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).