4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide

C12H21N3O2 — CID 23794806

IUPAC4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C12H21N3O2/c1-2-5-13-12(17)15-8-6-14(7-9-15)11(16)10-3-4-10/h10H,2-9H2,1H3,(H,13,17)
InChIKeyWUKYSOVGZBMCHV-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.66
Rot. Bonds3

About 4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide

4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide (PubChem CID 23794806) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide
PubChem CID23794806
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C12H21N3O2/c1-2-5-13-12(17)15-8-6-14(7-9-15)11(16)10-3-4-10/h10H,2-9H2,1H3,(H,13,17)
InChIKeyWUKYSOVGZBMCHV-UHFFFAOYSA-N
XLogP0.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopentanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 110364786
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
4-butanoyl-N-propylpiperazine-1-carboxamide
CID 110810606
4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide
CID 77039009
4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811347
4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide
CID 109147401
4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide
CID 110810662
N-butylaziridine-1-carboxamide
CID 55206947
4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide
CID 80552356
2-[1-(propylcarbamoyl)piperidin-4-yl]acetic acid
CID 29080141
N-propylmorpholine-4-carboxamide
CID 3410822
4-N,4-N-diethyl-1-N-[3-oxo-3-(propylamino)propyl]piperidine-1,4-dicarboxamide
CID 86870828

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide (CID 23794806) is 4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is WUKYSOVGZBMCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-5-13-12(17)15-8-6-14(7-9-15)11(16)10-3-4-10/h10H,2-9H2,1H3,(H,13,17).
What are the key properties of 4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide?
4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 23794806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).