trans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide

C18H23FN2O — CID 95180005

IUPACtrans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCN(C2CC2)CC1)[C@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C18H23FN2O/c19-13-3-1-2-12(10-13)16-11-17(16)18(22)20-14-6-8-21(9-7-14)15-4-5-15/h1-3,10,14-17H,4-9,11H2,(H,20,22)/t16-,17+/m1/s1
InChIKeyJSYQGIYHELELDL-SJORKVTESA-N
MW302.39 g/mol
LogP2.67
Rot. Bonds4

About trans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 95180005) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is trans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID95180005
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Nametrans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCN(C2CC2)CC1)[C@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C18H23FN2O/c19-13-3-1-2-12(10-13)16-11-17(16)18(22)20-14-6-8-21(9-7-14)15-4-5-15/h1-3,10,14-17H,4-9,11H2,(H,20,22)/t16-,17+/m1/s1
InChIKeyJSYQGIYHELELDL-SJORKVTESA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone
CID 71936510
trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 118736163
cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124779019
cis-(1S,2R)-2-(3-chlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 52523974
trans-(1S,2S)-2-(2,6-difluorophenyl)-N-[1-[(3R)-2-oxooxolan-3-yl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 97076561
N-(1-cyclopropylpiperidin-4-yl)-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75617543
2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide
CID 71881321
trans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 124782091
cis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 95178508
cis-(1R,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
CID 95568796
trans-(1S,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
CID 95568794
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111451610

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide (CID 95180005) is trans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide is O=C(NC1CCN(C2CC2)CC1)[C@H]1C[C@@H]1c1cccc(F)c1.
What is the InChIKey of trans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is JSYQGIYHELELDL-SJORKVTESA-N. The full InChI is InChI=1S/C18H23FN2O/c19-13-3-1-2-12(10-13)16-11-17(16)18(22)20-14-6-8-21(9-7-14)15-4-5-15/h1-3,10,14-17H,4-9,11H2,(H,20,22)/t16-,17+/m1/s1.
What are the key properties of trans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 302.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95180005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).