4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

C14H17N3O3 — CID 103763407

IUPAC4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H17N3O3/c18-12-9-11(3-4-15-12)14(20)17-7-5-16(6-8-17)13(19)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H,15,18)
InChIKeyNKBHMLQSUMFQEO-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.07
Rot. Bonds2

About 4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 103763407) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID103763407
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H17N3O3/c18-12-9-11(3-4-15-12)14(20)17-7-5-16(6-8-17)13(19)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H,15,18)
InChIKeyNKBHMLQSUMFQEO-UHFFFAOYSA-N
XLogP0.07
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 113264935
N-[1-(2-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 103764046
methyl 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate
CID 103762652
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
CID 103764742
N-ethyl-4-(2-oxo-1H-pyridine-4-carbonyl)piperazine-1-carboxamide
CID 103762745
4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one
CID 103763244
4-[4-(ethylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 114039612
4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 103762912
4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one
CID 103765578
cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110803788
cyclopropyl-[4-(naphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 9389888
4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 110600792

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 103763407) is 4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cc[nH]c(=O)c1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is NKBHMLQSUMFQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-12-9-11(3-4-15-12)14(20)17-7-5-16(6-8-17)13(19)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H,15,18).
What are the key properties of 4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 275.31 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 103763407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).