N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide

C13H20N4O — CID 47117590

IUPACN-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C13H20N4O/c1-2-5-15-13(18)17-10-8-16(9-11-17)12-3-6-14-7-4-12/h3-4,6-7H,2,5,8-11H2,1H3,(H,15,18)
InChIKeyGIFHVWFLXHLFCY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.32
Rot. Bonds3

About N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide

N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 47117590) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID47117590
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C13H20N4O/c1-2-5-15-13(18)17-10-8-16(9-11-17)12-3-6-14-7-4-12/h3-4,6-7H,2,5,8-11H2,1H3,(H,15,18)
InChIKeyGIFHVWFLXHLFCY-UHFFFAOYSA-N
XLogP1.32
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide
CID 110874514
N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113103275
4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 113103254
4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 47016737
N-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 48637215
4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103271
N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 122562374
N-[2-(2-chlorophenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 60595878
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide (CID 47117590) is N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(c2ccncc2)CC1.
What is the InChIKey of N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is GIFHVWFLXHLFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-5-15-13(18)17-10-8-16(9-11-17)12-3-6-14-7-4-12/h3-4,6-7H,2,5,8-11H2,1H3,(H,15,18).
What are the key properties of N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide?
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 47117590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).