N,N-dimethyl-2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]acetamide

C13H28N4O — CID 71930587

IUPACN,N-dimethyl-2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]acetamide
SMILESCN1CCN(CCCN(C)CC(=O)N(C)C)CC1
InChIInChI=1S/C13H28N4O/c1-14(2)13(18)12-16(4)6-5-7-17-10-8-15(3)9-11-17/h5-12H2,1-4H3
InChIKeyDICMSHWZZQDQKF-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.36
Rot. Bonds6

About N,N-dimethyl-2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]acetamide

N,N-dimethyl-2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]acetamide (PubChem CID 71930587) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]acetamide
PubChem CID71930587
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN,N-dimethyl-2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]acetamide
SMILESCN1CCN(CCCN(C)CC(=O)N(C)C)CC1
InChIInChI=1S/C13H28N4O/c1-14(2)13(18)12-16(4)6-5-7-17-10-8-15(3)9-11-17/h5-12H2,1-4H3
InChIKeyDICMSHWZZQDQKF-UHFFFAOYSA-N
XLogP-0.36
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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US10214537, Example 168
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1,4-Dipropylpiperazine-2,5-dione
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2-(Dimethylamino)-1-(4-propylpiperazin-1-yl)ethanone
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2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide
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CID 3229477
N,N'-Diisobutyl-2,5-dioxopiperazin
CID 58851024
1,4-Diethylpiperazin-2-one
CID 581342
1-(4-Ethylpiperazin-1-yl)propan-1-one
CID 3352129
1-(4-Propylpiperazin-1-yl)ethan-1-one
CID 20825660
1-(4-Propylpiperazin-1-yl)propan-1-one
CID 60644728

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]acetamide (CID 71930587) is N,N-dimethyl-2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]acetamide is CN1CCN(CCCN(C)CC(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]acetamide?
The InChIKey is DICMSHWZZQDQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-14(2)13(18)12-16(4)6-5-7-17-10-8-15(3)9-11-17/h5-12H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]acetamide?
N,N-dimethyl-2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]acetamide has a molecular weight of 256.39 g/mol, XLogP of -0.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]acetamide is sourced from PubChem (CID 71930587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).