N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide

C13H26N4O — CID 63897450

IUPACN-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide
SMILESCN1CCN(C)C(CNCC(=O)NCC2CC2)C1
InChIInChI=1S/C13H26N4O/c1-16-5-6-17(2)12(10-16)8-14-9-13(18)15-7-11-3-4-11/h11-12,14H,3-10H2,1-2H3,(H,15,18)
InChIKeyBFVZRDIJRIMUIG-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.65
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide

N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide (PubChem CID 63897450) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide
PubChem CID63897450
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide
SMILESCN1CCN(C)C(CNCC(=O)NCC2CC2)C1
InChIInChI=1S/C13H26N4O/c1-16-5-6-17(2)12(10-16)8-14-9-13(18)15-7-11-3-4-11/h11-12,14H,3-10H2,1-2H3,(H,15,18)
InChIKeyBFVZRDIJRIMUIG-UHFFFAOYSA-N
XLogP-0.65
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 ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63896375
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63899028
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 63898158
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide
CID 63897251
butyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetate
CID 63896903
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide;trihydrochloride
CID 119903262
3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide
CID 63896562
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-3-ylacetamide
CID 63897115
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627592
5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide
CID 107910113

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide (CID 63897450) is N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide is CN1CCN(C)C(CNCC(=O)NCC2CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide?
The InChIKey is BFVZRDIJRIMUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-16-5-6-17(2)12(10-16)8-14-9-13(18)15-7-11-3-4-11/h11-12,14H,3-10H2,1-2H3,(H,15,18).
What are the key properties of N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide?
N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide has a molecular weight of 254.38 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide is sourced from PubChem (CID 63897450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).