1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one

C18H27N3O2 — CID 95759735

IUPAC1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
SMILESO=C(CCCc1ccccn1)N1CCN([C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C18H27N3O2/c22-17-8-4-7-16(17)20-11-13-21(14-12-20)18(23)9-3-6-15-5-1-2-10-19-15/h1-2,5,10,16-17,22H,3-4,6-9,11-14H2/t16-,17-/m0/s1
InChIKeyYRLMYZCLKYHLIV-IRXDYDNUSA-N
MW317.43 g/mol
LogP1.46
Rot. Bonds5

About 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one

1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one (PubChem CID 95759735) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
PubChem CID95759735
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
SMILESO=C(CCCc1ccccn1)N1CCN([C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C18H27N3O2/c22-17-8-4-7-16(17)20-11-13-21(14-12-20)18(23)9-3-6-15-5-1-2-10-19-15/h1-2,5,10,16-17,22H,3-4,6-9,11-14H2/t16-,17-/m0/s1
InChIKeyYRLMYZCLKYHLIV-IRXDYDNUSA-N
XLogP1.46
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 95759309
1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 95758850
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95339985
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 96500899
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 136534066
3-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759398
1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 75384862
1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one
CID 56780008
1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95160540
1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-4-pyridin-2-ylbutan-1-one
CID 97100777
3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759452

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one?
The IUPAC name of 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one (CID 95759735) is 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one.
What is the SMILES notation for 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one?
The canonical SMILES for 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one is O=C(CCCc1ccccn1)N1CCN([C@H]2CCC[C@@H]2O)CC1.
What is the InChIKey of 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one?
The InChIKey is YRLMYZCLKYHLIV-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-17-8-4-7-16(17)20-11-13-21(14-12-20)18(23)9-3-6-15-5-1-2-10-19-15/h1-2,5,10,16-17,22H,3-4,6-9,11-14H2/t16-,17-/m0/s1.
What are the key properties of 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one?
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one has a molecular weight of 317.43 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one is sourced from PubChem (CID 95759735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).