3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide

C13H26N4O — CID 63896562

IUPAC3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide
SMILESCN1CCN(C)C(CNC(=O)CCNC2CC2)C1
InChIInChI=1S/C13H26N4O/c1-16-7-8-17(2)12(10-16)9-15-13(18)5-6-14-11-3-4-11/h11-12,14H,3-10H2,1-2H3,(H,15,18)
InChIKeyWQDYSXUFEVUGMA-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.51
Rot. Bonds6

About 3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide

3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide (PubChem CID 63896562) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide
PubChem CID63896562
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide
SMILESCN1CCN(C)C(CNC(=O)CCNC2CC2)C1
InChIInChI=1S/C13H26N4O/c1-16-7-8-17(2)12(10-16)9-15-13(18)5-6-14-11-3-4-11/h11-12,14H,3-10H2,1-2H3,(H,15,18)
InChIKeyWQDYSXUFEVUGMA-UHFFFAOYSA-N
XLogP-0.51
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63896375
5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide
CID 107910113
3-(cyclopropylamino)-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 79082583
6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide
CID 63898805
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
N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide
CID 63897450
2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63899028
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide;trihydrochloride
CID 119903262
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627592
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-3-ylacetamide
CID 63897115
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131908174

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide (CID 63896562) is 3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide is CN1CCN(C)C(CNC(=O)CCNC2CC2)C1.
What is the InChIKey of 3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide?
The InChIKey is WQDYSXUFEVUGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-16-7-8-17(2)12(10-16)9-15-13(18)5-6-14-11-3-4-11/h11-12,14H,3-10H2,1-2H3,(H,15,18).
What are the key properties of 3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide?
3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide has a molecular weight of 254.38 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide is sourced from PubChem (CID 63896562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).