4-[3-(dimethylamino)propyl]-N,N-diethyl-3,5-dimethylpiperazine-1-carboxamide

C16H34N4O — CID 110290524

IUPAC4-[3-(dimethylamino)propyl]-N,N-diethyl-3,5-dimethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CC(C)N(CCCN(C)C)C(C)C1
InChIInChI=1S/C16H34N4O/c1-7-18(8-2)16(21)19-12-14(3)20(15(4)13-19)11-9-10-17(5)6/h14-15H,7-13H2,1-6H3
InChIKeyRLJITTGVGIYVKC-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.79
Rot. Bonds6

About 4-[3-(dimethylamino)propyl]-N,N-diethyl-3,5-dimethylpiperazine-1-carboxamide

4-[3-(dimethylamino)propyl]-N,N-diethyl-3,5-dimethylpiperazine-1-carboxamide (PubChem CID 110290524) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]-N,N-diethyl-3,5-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]-N,N-diethyl-3,5-dimethylpiperazine-1-carboxamide
PubChem CID110290524
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name4-[3-(dimethylamino)propyl]-N,N-diethyl-3,5-dimethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CC(C)N(CCCN(C)C)C(C)C1
InChIInChI=1S/C16H34N4O/c1-7-18(8-2)16(21)19-12-14(3)20(15(4)13-19)11-9-10-17(5)6/h14-15H,7-13H2,1-6H3
InChIKeyRLJITTGVGIYVKC-UHFFFAOYSA-N
XLogP1.79
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazine-1-carboxamide
CID 110308563
1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one
CID 110290314
1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]pentan-1-one
CID 110290316
(3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide
CID 7393137
1-[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 110308523
1-[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 110308540
[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone
CID 110290516
N-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide
CID 102976075
N,N-diethyl-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896864
1-(2-chlorophenyl)-4-[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]butane-1,4-dione
CID 110629280
3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide
CID 79160798
[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 110290389

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl]-N,N-diethyl-3,5-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-(dimethylamino)propyl]-N,N-diethyl-3,5-dimethylpiperazine-1-carboxamide (CID 110290524) is 4-[3-(dimethylamino)propyl]-N,N-diethyl-3,5-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]-N,N-diethyl-3,5-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-(dimethylamino)propyl]-N,N-diethyl-3,5-dimethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CC(C)N(CCCN(C)C)C(C)C1.
What is the InChIKey of 4-[3-(dimethylamino)propyl]-N,N-diethyl-3,5-dimethylpiperazine-1-carboxamide?
The InChIKey is RLJITTGVGIYVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-7-18(8-2)16(21)19-12-14(3)20(15(4)13-19)11-9-10-17(5)6/h14-15H,7-13H2,1-6H3.
What are the key properties of 4-[3-(dimethylamino)propyl]-N,N-diethyl-3,5-dimethylpiperazine-1-carboxamide?
4-[3-(dimethylamino)propyl]-N,N-diethyl-3,5-dimethylpiperazine-1-carboxamide has a molecular weight of 298.47 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]-N,N-diethyl-3,5-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 110290524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).