4-[(6-oxo-1H-pyridin-3-yl)methyl]-N-propylpiperazine-1-carboxamide

C14H22N4O2 — CID 110748813

IUPAC4-[(6-oxo-1H-pyridin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C14H22N4O2/c1-2-5-15-14(20)18-8-6-17(7-9-18)11-12-3-4-13(19)16-10-12/h3-4,10H,2,5-9,11H2,1H3,(H,15,20)(H,16,19)
InChIKeySFFHZPMIZXKLQO-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.61
Rot. Bonds4

About 4-[(6-oxo-1H-pyridin-3-yl)methyl]-N-propylpiperazine-1-carboxamide

4-[(6-oxo-1H-pyridin-3-yl)methyl]-N-propylpiperazine-1-carboxamide (PubChem CID 110748813) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[(6-oxo-1H-pyridin-3-yl)methyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(6-oxo-1H-pyridin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
PubChem CID110748813
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-[(6-oxo-1H-pyridin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C14H22N4O2/c1-2-5-15-14(20)18-8-6-17(7-9-18)11-12-3-4-13(19)16-10-12/h3-4,10H,2,5-9,11H2,1H3,(H,15,20)(H,16,19)
InChIKeySFFHZPMIZXKLQO-UHFFFAOYSA-N
XLogP0.61
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propylpiperazine-1-carboxamide
CID 110812162
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
5-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-1H-pyridin-2-one
CID 110730655
4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide
CID 47120804
4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 110363310
N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;molecular hydrogen
CID 143541774
N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide
CID 60701290
4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide
CID 110421794
5-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
CID 110730705
4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 110363142
4-[2-(4-fluorophenyl)acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 110811568
4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023

Frequently Asked Questions

What is the IUPAC name of 4-[(6-oxo-1H-pyridin-3-yl)methyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-[(6-oxo-1H-pyridin-3-yl)methyl]-N-propylpiperazine-1-carboxamide (CID 110748813) is 4-[(6-oxo-1H-pyridin-3-yl)methyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(6-oxo-1H-pyridin-3-yl)methyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(6-oxo-1H-pyridin-3-yl)methyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(Cc2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 4-[(6-oxo-1H-pyridin-3-yl)methyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is SFFHZPMIZXKLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-5-15-14(20)18-8-6-17(7-9-18)11-12-3-4-13(19)16-10-12/h3-4,10H,2,5-9,11H2,1H3,(H,15,20)(H,16,19).
What are the key properties of 4-[(6-oxo-1H-pyridin-3-yl)methyl]-N-propylpiperazine-1-carboxamide?
4-[(6-oxo-1H-pyridin-3-yl)methyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-oxo-1H-pyridin-3-yl)methyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110748813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).