1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide

C13H25N3O — CID 113490132

IUPAC1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCC(CC1CC1)N1CCNCC1C(=O)N(C)C
InChIInChI=1S/C13H25N3O/c1-10(8-11-4-5-11)16-7-6-14-9-12(16)13(17)15(2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyJHUGQZGHLARBGC-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.54
Rot. Bonds4

About 1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide

1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 113490132) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide
PubChem CID113490132
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCC(CC1CC1)N1CCNCC1C(=O)N(C)C
InChIInChI=1S/C13H25N3O/c1-10(8-11-4-5-11)16-7-6-14-9-12(16)13(17)15(2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyJHUGQZGHLARBGC-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(1-cyclopropylpropan-2-yl)-2-methylpiperazine;hydrochloride
CID 130908546
1-[1-(3,5-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide
CID 107707647
1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide
CID 107711438
1-but-2-enyl-N,N-dimethylpiperazine-2-carboxamide
CID 77100640
(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide
CID 95804037
1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide
CID 81093679
methyl 1-(1-cyclopropylpropan-2-yl)azetidine-2-carboxylate
CID 112581488
1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide
CID 115940603
N,N-dimethyl-1-sulfamoylpiperazine-2-carboxamide
CID 114959382
methyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate
CID 79621412
N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119697659
N,N-dimethyl-1-(2-methyloxolan-3-yl)piperazine-2-carboxamide
CID 82719432

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of 1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide (CID 113490132) is 1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide is CC(CC1CC1)N1CCNCC1C(=O)N(C)C.
What is the InChIKey of 1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is JHUGQZGHLARBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(8-11-4-5-11)16-7-6-14-9-12(16)13(17)15(2)3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide?
1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 113490132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).