(2S)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one

C20H29FN2O — CID 95648489

IUPAC(2S)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCCCC1)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H29FN2O/c1-16(20(24)23-10-3-2-4-11-23)22-12-8-17(9-13-22)14-18-6-5-7-19(21)15-18/h5-7,15-17H,2-4,8-14H2,1H3/t16-/m0/s1
InChIKeyLNZKIZPKVKUALH-INIZCTEOSA-N
MW332.46 g/mol
LogP3.48
Rot. Bonds4

About (2S)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one

(2S)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 95648489) has the molecular formula C20H29FN2O and a molecular weight of 332.46 g/mol. Its IUPAC name is (2S)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID95648489
Molecular FormulaC20H29FN2O
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC Name(2S)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCCCC1)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H29FN2O/c1-16(20(24)23-10-3-2-4-11-23)22-12-8-17(9-13-22)14-18-6-5-7-19(21)15-18/h5-7,15-17H,2-4,8-14H2,1H3/t16-/m0/s1
InChIKeyLNZKIZPKVKUALH-INIZCTEOSA-N
XLogP3.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)propan-1-one
CID 13345092
1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propan-1-one
CID 60502228
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide
CID 47053789
1-(azepan-1-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 60502254
1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119349611
4-[2-(4-benzylpiperidin-1-yl)propanoyl]-1,4-diazepane-1-carboxamide
CID 136524901
N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 136577855
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 9431608
[(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea
CID 71919535
2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 60769000
(2R)-3-(3-fluorophenyl)-2-methyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 95250771

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one (CID 95648489) is (2S)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one is C[C@@H](C(=O)N1CCCCC1)N1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of (2S)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is LNZKIZPKVKUALH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29FN2O/c1-16(20(24)23-10-3-2-4-11-23)22-12-8-17(9-13-22)14-18-6-5-7-19(21)15-18/h5-7,15-17H,2-4,8-14H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
(2S)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 332.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 95648489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).