cyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone

C18H25FN2O — CID 96513320

IUPACcyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone
SMILESC[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1cccc(F)c1
InChIInChI=1S/C18H25FN2O/c1-12-11-21(18(22)14-6-7-14)9-8-17(12)20-13(2)15-4-3-5-16(19)10-15/h3-5,10,12-14,17,20H,6-9,11H2,1-2H3/t12-,13-,17+/m0/s1
InChIKeyBKRJJVALZOLBCU-GDZNZVCISA-N
MW304.41 g/mol
LogP3.12
Rot. Bonds4

About cyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone

cyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone (PubChem CID 96513320) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is cyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone
PubChem CID96513320
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Namecyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone
SMILESC[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1cccc(F)c1
InChIInChI=1S/C18H25FN2O/c1-12-11-21(18(22)14-6-7-14)9-8-17(12)20-13(2)15-4-3-5-16(19)10-15/h3-5,10,12-14,17,20H,6-9,11H2,1-2H3/t12-,13-,17+/m0/s1
InChIKeyBKRJJVALZOLBCU-GDZNZVCISA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone
CID 71927640
1-[4-[1-(3-fluorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747833
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 81368219
1-[(3R,4S)-4-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone
CID 97024489
1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 42907119
N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 115708260
tert-butyl 3-[1-(3-fluorophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103711103
1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one
CID 98772851
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
cyclopropyl-[(3R,4R)-4-[[(1R)-1-(2,6-difluorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]methanone
CID 98791488
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81365854
N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide
CID 115575913

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone (CID 96513320) is cyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone is C[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1cccc(F)c1.
What is the InChIKey of cyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone?
The InChIKey is BKRJJVALZOLBCU-GDZNZVCISA-N. The full InChI is InChI=1S/C18H25FN2O/c1-12-11-21(18(22)14-6-7-14)9-8-17(12)20-13(2)15-4-3-5-16(19)10-15/h3-5,10,12-14,17,20H,6-9,11H2,1-2H3/t12-,13-,17+/m0/s1.
What are the key properties of cyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone?
cyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone has a molecular weight of 304.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 96513320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).