(3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide

C19H22FN3O2 — CID 124507921

IUPAC(3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1ccc[nH]1)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H22FN3O2/c1-22(13-17-5-2-10-21-17)18(24)15-4-3-11-23(12-15)19(25)14-6-8-16(20)9-7-14/h2,5-10,15,21H,3-4,11-13H2,1H3/t15-/m0/s1
InChIKeyMTLNZNQVEPCZKQ-HNNXBMFYSA-N
MW343.40 g/mol
LogP2.66
Rot. Bonds4

About (3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide

(3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 124507921) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is (3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide
PubChem CID124507921
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name(3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1ccc[nH]1)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H22FN3O2/c1-22(13-17-5-2-10-21-17)18(24)15-4-3-11-23(12-15)19(25)14-6-8-16(20)9-7-14/h2,5-10,15,21H,3-4,11-13H2,1H3/t15-/m0/s1
InChIKeyMTLNZNQVEPCZKQ-HNNXBMFYSA-N
XLogP2.66
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 55623634
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 136524417
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 55396606
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55472289
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-benzoyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide
CID 86901383
4-[methyl(1H-pyrrol-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 115165548
1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 24679712
N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002801
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide (CID 124507921) is (3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide is CN(Cc1ccc[nH]1)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is MTLNZNQVEPCZKQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-22(13-17-5-2-10-21-17)18(24)15-4-3-11-23(12-15)19(25)14-6-8-16(20)9-7-14/h2,5-10,15,21H,3-4,11-13H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide?
(3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 124507921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).