N,3-dimethyl-1-(2-piperazin-1-ylacetyl)pyrrolidine-3-carboxamide

C13H24N4O2 — CID 106318287

IUPACN,3-dimethyl-1-(2-piperazin-1-ylacetyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)CN2CCNCC2)C1
InChIInChI=1S/C13H24N4O2/c1-13(12(19)14-2)3-6-17(10-13)11(18)9-16-7-4-15-5-8-16/h15H,3-10H2,1-2H3,(H,14,19)
InChIKeyTZHRGWOFQSIXSD-UHFFFAOYSA-N
MW268.36 g/mol
LogP-1.12
Rot. Bonds3

About N,3-dimethyl-1-(2-piperazin-1-ylacetyl)pyrrolidine-3-carboxamide

N,3-dimethyl-1-(2-piperazin-1-ylacetyl)pyrrolidine-3-carboxamide (PubChem CID 106318287) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N,3-dimethyl-1-(2-piperazin-1-ylacetyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1-(2-piperazin-1-ylacetyl)pyrrolidine-3-carboxamide
PubChem CID106318287
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN,3-dimethyl-1-(2-piperazin-1-ylacetyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)CN2CCNCC2)C1
InChIInChI=1S/C13H24N4O2/c1-13(12(19)14-2)3-6-17(10-13)11(18)9-16-7-4-15-5-8-16/h15H,3-10H2,1-2H3,(H,14,19)
InChIKeyTZHRGWOFQSIXSD-UHFFFAOYSA-N
XLogP-1.12
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
N,3-dimethyl-1-(2-piperidin-3-ylacetyl)pyrrolidine-3-carboxamide
CID 106318342
2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 106317949
1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 114172830
N,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide
CID 106318285
N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxamide
CID 106151836
1-[2-(4-cyanophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151787
1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318282
3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 106317948
1-N,1-N,3-N,3-tetramethylpyrrolidine-1,3-dicarboxamide
CID 106132532
1-(8-azaspiro[4.5]decan-8-yl)-2-piperazin-1-ylethanone
CID 63163322
1-(2-hydroxy-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318601

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(2-piperazin-1-ylacetyl)pyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-1-(2-piperazin-1-ylacetyl)pyrrolidine-3-carboxamide (CID 106318287) is N,3-dimethyl-1-(2-piperazin-1-ylacetyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-1-(2-piperazin-1-ylacetyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-1-(2-piperazin-1-ylacetyl)pyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(=O)CN2CCNCC2)C1.
What is the InChIKey of N,3-dimethyl-1-(2-piperazin-1-ylacetyl)pyrrolidine-3-carboxamide?
The InChIKey is TZHRGWOFQSIXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-13(12(19)14-2)3-6-17(10-13)11(18)9-16-7-4-15-5-8-16/h15H,3-10H2,1-2H3,(H,14,19).
What are the key properties of N,3-dimethyl-1-(2-piperazin-1-ylacetyl)pyrrolidine-3-carboxamide?
N,3-dimethyl-1-(2-piperazin-1-ylacetyl)pyrrolidine-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(2-piperazin-1-ylacetyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106318287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).