2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one

C19H27N5O3 — CID 72869617

IUPAC2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=C(Cn1ncc(N2CCCC2)cc1=O)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C19H27N5O3/c25-17-11-16(21-7-3-4-8-21)12-20-24(17)14-18(26)22-9-10-23(19(27)13-22)15-5-1-2-6-15/h11-12,15H,1-10,13-14H2
InChIKeyUDHAZVUNVWXSHG-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.46
Rot. Bonds4

About 2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 72869617) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID72869617
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=C(Cn1ncc(N2CCCC2)cc1=O)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C19H27N5O3/c25-17-11-16(21-7-3-4-8-21)12-20-24(17)14-18(26)22-9-10-23(19(27)13-22)15-5-1-2-6-15/h11-12,15H,1-10,13-14H2
InChIKeyUDHAZVUNVWXSHG-UHFFFAOYSA-N
XLogP0.46
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-{[6-oxo-4-(1-pyrrolidinyl)-1(6H)-pyridazinyl]acetyl}-3-piperidinecarbonitrile
CID 45218294
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-N~2~-4-piperidinylglycinamide
CID 70750771
2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3(2H)-one
CID 72838958
5-(dimethylamino)-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 97188705
5-(4-methyl-1-piperazinyl)-2-[3-oxo-3-(1-pyrrolidinyl)propyl]-3(2H)-pyridazinone
CID 28357548
2-[2-(2,5-Dihydropyrrol-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 28097404
2-{2-[(1S*,4S*)-2-azabicyclo[2.2.1]hept-2-yl]ethyl}-5-(dimethylamino)-3(2H)-pyridazinone
CID 45214548
2-(6-Oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide
CID 56885798
2-[3-oxo-3-(1-pyrrolidinyl)propyl]-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 56908273
5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3(2H)-one
CID 72846983
5-(dimethylamino)-2-(1-methyl-2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3(2H)-one
CID 72847356
N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1(6H)-yl)butanamide
CID 72895732

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 72869617) is 2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one is O=C(Cn1ncc(N2CCCC2)cc1=O)N1CCN(C2CCCC2)C(=O)C1.
What is the InChIKey of 2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is UDHAZVUNVWXSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c25-17-11-16(21-7-3-4-8-21)12-20-24(17)14-18(26)22-9-10-23(19(27)13-22)15-5-1-2-6-15/h11-12,15H,1-10,13-14H2.
What are the key properties of 2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 373.46 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 72869617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).