(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide

C18H25FN2O2 — CID 94367783

IUPAC(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C18H25FN2O2/c1-3-7-13(2)20-17(22)14-8-6-11-21(12-14)18(23)15-9-4-5-10-16(15)19/h4-5,9-10,13-14H,3,6-8,11-12H2,1-2H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyRPBFWIBHJFUEJY-ZIAGYGMSSA-N
MW320.41 g/mol
LogP2.98
Rot. Bonds5

About (3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide

(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide (PubChem CID 94367783) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
PubChem CID94367783
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C18H25FN2O2/c1-3-7-13(2)20-17(22)14-8-6-11-21(12-14)18(23)15-9-4-5-10-16(15)19/h4-5,9-10,13-14H,3,6-8,11-12H2,1-2H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyRPBFWIBHJFUEJY-ZIAGYGMSSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367549
1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924676
(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082445
1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 50804043
ethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 50803904
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 39724050
N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 50803874
1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120591036
1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49404500
(3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 93069842
ethyl 3-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 50804505

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide (CID 94367783) is (3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide is CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2F)C1.
What is the InChIKey of (3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
The InChIKey is RPBFWIBHJFUEJY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-3-7-13(2)20-17(22)14-8-6-11-21(12-14)18(23)15-9-4-5-10-16(15)19/h4-5,9-10,13-14H,3,6-8,11-12H2,1-2H3,(H,20,22)/t13-,14-/m1/s1.
What are the key properties of (3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 94367783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).