1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-2-ylmethyl)piperidin-3-yl]propan-1-one

C28H38FN5O2 — CID 29213895

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-2-ylmethyl)piperidin-3-yl]propan-1-one
SMILESO=C(CC[C@H]1CN(Cc2ccccn2)CC[C@H]1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C28H38FN5O2/c29-24-5-7-26(8-6-24)32-13-15-34(16-14-32)28(35)9-4-23-21-31(22-25-3-1-2-11-30-25)12-10-27(23)33-17-19-36-20-18-33/h1-3,5-8,11,23,27H,4,9-10,12-22H2/t23-,27+/m0/s1
InChIKeyFIYMLKPZMMWCPE-WNCULLNHSA-N
MW495.64 g/mol
LogP2.87
Rot. Bonds7

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-2-ylmethyl)piperidin-3-yl]propan-1-one

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-2-ylmethyl)piperidin-3-yl]propan-1-one (PubChem CID 29213895) has the molecular formula C28H38FN5O2 and a molecular weight of 495.64 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-2-ylmethyl)piperidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-2-ylmethyl)piperidin-3-yl]propan-1-one
PubChem CID29213895
Molecular FormulaC28H38FN5O2
Molecular Weight495.64 g/mol
Exact Mass495.30
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-2-ylmethyl)piperidin-3-yl]propan-1-one
SMILESO=C(CC[C@H]1CN(Cc2ccccn2)CC[C@H]1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C28H38FN5O2/c29-24-5-7-26(8-6-24)32-13-15-34(16-14-32)28(35)9-4-23-21-31(22-25-3-1-2-11-30-25)12-10-27(23)33-17-19-36-20-18-33/h1-3,5-8,11,23,27H,4,9-10,12-22H2/t23-,27+/m0/s1
InChIKeyFIYMLKPZMMWCPE-WNCULLNHSA-N
XLogP2.87
TPSA52.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.64
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-2-ylmethyl)piperidin-3-yl]propan-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-hydroxypiperidin-1-yl)-3-[(3S,4R)-1-(pyridin-2-ylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-3-yl]propan-1-one
CID 56856153
1-piperidin-1-yl-3-[(3R,4S)-1-(pyridin-2-ylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-3-yl]propan-1-one
CID 133128873
1-(4-methylpiperidin-1-yl)-3-[(3S,4R)-1-(pyridin-2-ylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-3-yl]propan-1-one
CID 45246080
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
N,N-dimethyl-3-[(3S,4R)-1-(pyridin-2-ylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-3-yl]propanamide
CID 26337819
N-(3-ethoxypropyl)-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide
CID 29087467
3-[(3S,4R)-1-(2-methylpropyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 28955258
3-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-morpholin-4-ylpiperidin-3-yl]propanoic acid
CID 72896915
N-(4-methylsulfanylphenyl)-3-[(3R,4S)-1-(pyridin-2-ylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-3-yl]propanamide
CID 133134725
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 91797332
5-[3-oxo-3-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione
CID 70776688
1-(4-hydroxypiperidin-1-yl)-3-[(3S,4R)-1-(pyridin-4-ylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-3-yl]propan-1-one
CID 56857136

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-2-ylmethyl)piperidin-3-yl]propan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-2-ylmethyl)piperidin-3-yl]propan-1-one (CID 29213895) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-2-ylmethyl)piperidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-2-ylmethyl)piperidin-3-yl]propan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-2-ylmethyl)piperidin-3-yl]propan-1-one is O=C(CC[C@H]1CN(Cc2ccccn2)CC[C@H]1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-2-ylmethyl)piperidin-3-yl]propan-1-one?
The InChIKey is FIYMLKPZMMWCPE-WNCULLNHSA-N. The full InChI is InChI=1S/C28H38FN5O2/c29-24-5-7-26(8-6-24)32-13-15-34(16-14-32)28(35)9-4-23-21-31(22-25-3-1-2-11-30-25)12-10-27(23)33-17-19-36-20-18-33/h1-3,5-8,11,23,27H,4,9-10,12-22H2/t23-,27+/m0/s1.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-2-ylmethyl)piperidin-3-yl]propan-1-one?
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-2-ylmethyl)piperidin-3-yl]propan-1-one has a molecular weight of 495.64 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-2-ylmethyl)piperidin-3-yl]propan-1-one is sourced from PubChem (CID 29213895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).