1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one

C18H26N4O2 — CID 74236287

IUPAC1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C18H26N4O2/c23-17-5-2-8-21(17)9-3-6-18(24)22-12-10-20(11-13-22)15-16-4-1-7-19-14-16/h1,4,7,14H,2-3,5-6,8-13,15H2
InChIKeyRSUGKQDZZWMJBN-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.13
Rot. Bonds6

About 1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one

1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one (PubChem CID 74236287) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one
PubChem CID74236287
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C18H26N4O2/c23-17-5-2-8-21(17)9-3-6-18(24)22-12-10-20(11-13-22)15-16-4-1-7-19-14-16/h1,4,7,14H,2-3,5-6,8-13,15H2
InChIKeyRSUGKQDZZWMJBN-UHFFFAOYSA-N
XLogP1.13
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-oxo-4-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]butyl]pyrrolidin-2-one
CID 70735584
1-(2-pyridin-3-ylethyl)pyrrolidin-2-one
CID 59074969
1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 84592394
3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 19572708
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
N-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide
CID 134045130
4-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]-1,4-benzoxazin-3-one
CID 134045157
5-(1,3-benzothiazol-2-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 134045139
3-(3,5-dimethoxyphenyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 134033185
1-(4-benzylpiperazin-1-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propan-1-one
CID 45189885
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78806232
1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one
CID 109017464

Frequently Asked Questions

What is the IUPAC name of 1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one (CID 74236287) is 1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one is O=C1CCCN1CCCC(=O)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one?
The InChIKey is RSUGKQDZZWMJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17-5-2-8-21(17)9-3-6-18(24)22-12-10-20(11-13-22)15-16-4-1-7-19-14-16/h1,4,7,14H,2-3,5-6,8-13,15H2.
What are the key properties of 1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one?
1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one has a molecular weight of 330.43 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one is sourced from PubChem (CID 74236287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).