(2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

C18H24FN3O2 — CID 100649814

IUPAC(2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NC[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)[C@@H]1CCCN1
InChIInChI=1S/C18H24FN3O2/c19-15-7-5-14(6-8-15)18(24)22-10-2-3-13(12-22)11-21-17(23)16-4-1-9-20-16/h5-8,13,16,20H,1-4,9-12H2,(H,21,23)/t13-,16+/m1/s1
InChIKeyBYVACBQPIFXZJS-CJNGLKHVSA-N
MW333.41 g/mol
LogP1.55
Rot. Bonds4

About (2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

(2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 100649814) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID100649814
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NC[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)[C@@H]1CCCN1
InChIInChI=1S/C18H24FN3O2/c19-15-7-5-14(6-8-15)18(24)22-10-2-3-13(12-22)11-21-17(23)16-4-1-9-20-16/h5-8,13,16,20H,1-4,9-12H2,(H,21,23)/t13-,16+/m1/s1
InChIKeyBYVACBQPIFXZJS-CJNGLKHVSA-N
XLogP1.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649892
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
(2S)-N-[[(3R)-1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124698807
methyl 3-fluoro-4-[[3-[(pyrrolidine-2-carbonylamino)methyl]piperidine-1-carbonyl]amino]benzoate
CID 166402168
(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124700133
methyl 4-[(3R)-3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 42157752
methyl 4-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 24817518
N-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556934
(2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124574195
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
(2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649268
(2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124692085

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (CID 100649814) is (2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is O=C(NC[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is BYVACBQPIFXZJS-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H24FN3O2/c19-15-7-5-14(6-8-15)18(24)22-10-2-3-13(12-22)11-21-17(23)16-4-1-9-20-16/h5-8,13,16,20H,1-4,9-12H2,(H,21,23)/t13-,16+/m1/s1.
What are the key properties of (2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 100649814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).