N-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide

C12H26N4O — CID 108995187

IUPACN-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN(C)CCCNC(=O)CN1CCN(C)CC1
InChIInChI=1S/C12H26N4O/c1-14(2)6-4-5-13-12(17)11-16-9-7-15(3)8-10-16/h4-11H2,1-3H3,(H,13,17)
InChIKeyNMGGWXOIBKOZHK-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.70
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide

N-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 108995187) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID108995187
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC NameN-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN(C)CCCNC(=O)CN1CCN(C)CC1
InChIInChI=1S/C12H26N4O/c1-14(2)6-4-5-13-12(17)11-16-9-7-15(3)8-10-16/h4-11H2,1-3H3,(H,13,17)
InChIKeyNMGGWXOIBKOZHK-UHFFFAOYSA-N
XLogP-0.70
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane
CID 157343011
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 54773686
N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43509649
N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide
CID 58969865
N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
CID 110343157
(2S)-2,6-bis[[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]hexanoic acid
CID 59921848
N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 22272726
N-[3-(dimethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105897
N-(3-aminopropyl)-2-[4,7,10-tris[2-(3-aminopropylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 101418883
N-[3-(dimethylamino)propyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686486
3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide
CID 110442446
N-[2-(2-aminoethoxy)ethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 175195064

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 108995187) is N-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide is CN(C)CCCNC(=O)CN1CCN(C)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is NMGGWXOIBKOZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-14(2)6-4-5-13-12(17)11-16-9-7-15(3)8-10-16/h4-11H2,1-3H3,(H,13,17).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 242.37 g/mol, XLogP of -0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 108995187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).