[(1S,2R)-2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]carbamic acid

C19H24FN3O2 — CID 156513770

IUPAC[(1S,2R)-2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]carbamic acid
SMILESN#CC(c1cccc(F)c1)(C1CCNCC1)[C@H]1CCC[C@@H]1NC(=O)O
InChIInChI=1S/C19H24FN3O2/c20-15-4-1-3-14(11-15)19(12-21,13-7-9-22-10-8-13)16-5-2-6-17(16)23-18(24)25/h1,3-4,11,13,16-17,22-23H,2,5-10H2,(H,24,25)/t16-,17-,19?/m0/s1
InChIKeyDQFKRELQQLSTOF-YGYNJSFOSA-N
MW345.42 g/mol
LogP3.02
Rot. Bonds4

About [(1S,2R)-2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]carbamic acid

[(1S,2R)-2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]carbamic acid (PubChem CID 156513770) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is [(1S,2R)-2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]carbamic acid.

Molecular Properties

Compound Name[(1S,2R)-2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]carbamic acid
PubChem CID156513770
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name[(1S,2R)-2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]carbamic acid
SMILESN#CC(c1cccc(F)c1)(C1CCNCC1)[C@H]1CCC[C@@H]1NC(=O)O
InChIInChI=1S/C19H24FN3O2/c20-15-4-1-3-14(11-15)19(12-21,13-7-9-22-10-8-13)16-5-2-6-17(16)23-18(24)25/h1,3-4,11,13,16-17,22-23H,2,5-10H2,(H,24,25)/t16-,17-,19?/m0/s1
InChIKeyDQFKRELQQLSTOF-YGYNJSFOSA-N
XLogP3.02
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2R)-2-[(S)-(1-benzylpiperidin-4-yl)-cyano-(3-fluorophenyl)methyl]cyclopentyl]carbamic acid
CID 156513820
N-[2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]formamide;2-methoxy-2-methylpropane
CID 142446718
methyl N-[(1S,2R)-2-[(S)-cyano-(3-fluorophenyl)-[1-(4-phenylbutanoyl)piperidin-4-yl]methyl]cyclopentyl]carbamate
CID 146511547
[(1S,2R)-2-[(S)-cyano-(3-fluorophenyl)-[1-[[1-[4-[4-(prop-2-enoylamino)phenyl]sulfonylphenyl]azetidin-3-yl]methyl]piperidin-4-yl]methyl]cyclopentyl]carbamic acid
CID 156513694
methyl N-[2-[cyano-[1-[[1-(4-cyanophenyl)azetidin-3-yl]methyl]piperidin-4-yl]-(3-fluorophenyl)methyl]cyclopentyl]carbamate
CID 145397343
[(1S,2R)-2-[(S)-cyano-(3-fluorophenyl)-[1-[[3-fluoro-1-[4-(1-prop-2-enoylazetidin-3-yl)sulfonylphenyl]azetidin-3-yl]methyl]piperidin-4-yl]methyl]cyclopentyl]carbamic acid
CID 156513774
[(1S,2R)-2-[cyano-(3-fluorophenyl)-[1-[[1-[4-(1-prop-2-enoylpiperidin-3-yl)sulfonylphenyl]azetidin-3-yl]methyl]piperidin-4-yl]methyl]cyclopentyl]carbamic acid
CID 156513745
methyl N-[(1S,2R)-2-[(S)-cyano-[1-[3-(3-cyclopropylsulfonylphenyl)propanoyl]piperidin-4-yl]-(3-fluorophenyl)methyl]cyclopentyl]carbamate
CID 146511740
tert-butyl N-[(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-piperidin-4-ylethyl]cyclopentyl]carbamate
CID 139550622
methyl N-[(1S,2R)-2-[(S)-cyano-[1-[1-(3-cyclopropylsulfonylphenyl)azetidine-3-carbonyl]piperidin-4-yl]-(3-fluorophenyl)methyl]cyclopentyl]carbamate
CID 146511743
N-[(1S,2R)-2-[(S)-cyano-[1-[[1-(4-cyclohexylsulfonylphenyl)azetidin-3-yl]methyl]piperidin-4-yl]-(3-fluorophenyl)methyl]cyclopentyl]prop-2-enamide
CID 142446686
2-[2-[[cyclobutylidene(methoxy)methyl]amino]cyclopentyl]-2-[1-(2-ethyl-4-methylhexyl)piperidin-4-yl]-2-(3-fluorophenyl)acetonitrile
CID 166724536

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]carbamic acid?
The IUPAC name of [(1S,2R)-2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]carbamic acid (CID 156513770) is [(1S,2R)-2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]carbamic acid.
What is the SMILES notation for [(1S,2R)-2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]carbamic acid?
The canonical SMILES for [(1S,2R)-2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]carbamic acid is N#CC(c1cccc(F)c1)(C1CCNCC1)[C@H]1CCC[C@@H]1NC(=O)O.
What is the InChIKey of [(1S,2R)-2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]carbamic acid?
The InChIKey is DQFKRELQQLSTOF-YGYNJSFOSA-N. The full InChI is InChI=1S/C19H24FN3O2/c20-15-4-1-3-14(11-15)19(12-21,13-7-9-22-10-8-13)16-5-2-6-17(16)23-18(24)25/h1,3-4,11,13,16-17,22-23H,2,5-10H2,(H,24,25)/t16-,17-,19?/m0/s1.
What are the key properties of [(1S,2R)-2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]carbamic acid?
[(1S,2R)-2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]carbamic acid has a molecular weight of 345.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[cyano-(3-fluorophenyl)-piperidin-4-ylmethyl]cyclopentyl]carbamic acid is sourced from PubChem (CID 156513770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).