1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one

C22H34N4O — CID 83278597

IUPAC1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one
SMILESO=C(CCc1ccnc(N2CCCC2)c1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H34N4O/c27-22(26-16-14-24(15-17-26)20-6-2-1-3-7-20)9-8-19-10-11-23-21(18-19)25-12-4-5-13-25/h10-11,18,20H,1-9,12-17H2
InChIKeyPKOUMRYLWKTRBS-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.09
Rot. Bonds5

About 1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one

1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one (PubChem CID 83278597) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one
PubChem CID83278597
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one
SMILESO=C(CCc1ccnc(N2CCCC2)c1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H34N4O/c27-22(26-16-14-24(15-17-26)20-6-2-1-3-7-20)9-8-19-10-11-23-21(18-19)25-12-4-5-13-25/h10-11,18,20H,1-9,12-17H2
InChIKeyPKOUMRYLWKTRBS-UHFFFAOYSA-N
XLogP3.09
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one with MolForge

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one
CID 53185924
3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid
CID 82661762
N-ethyl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 83273482
1-[4-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 66904486
2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 62369629
1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one
CID 53186207
(4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone
CID 53175169
1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 55774449
N-(2-pyridin-4-ylethyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 53185930
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one
CID 86853553
1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one
CID 83888257

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one?
The IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one (CID 83278597) is 1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one.
What is the SMILES notation for 1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one?
The canonical SMILES for 1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one is O=C(CCc1ccnc(N2CCCC2)c1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one?
The InChIKey is PKOUMRYLWKTRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c27-22(26-16-14-24(15-17-26)20-6-2-1-3-7-20)9-8-19-10-11-23-21(18-19)25-12-4-5-13-25/h10-11,18,20H,1-9,12-17H2.
What are the key properties of 1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one?
1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one has a molecular weight of 370.54 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one is sourced from PubChem (CID 83278597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).