4-(4-fluorophenyl)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]piperidine-1-carboxamide

C26H34FN3O — CID 58509859

IUPAC4-(4-fluorophenyl)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]piperidine-1-carboxamide
SMILESC[C@@H]1CCCN(Cc2ccc(N(C)C(=O)N3CCC(c4ccc(F)cc4)CC3)cc2)C1
InChIInChI=1S/C26H34FN3O/c1-20-4-3-15-29(18-20)19-21-5-11-25(12-6-21)28(2)26(31)30-16-13-23(14-17-30)22-7-9-24(27)10-8-22/h5-12,20,23H,3-4,13-19H2,1-2H3/t20-/m1/s1
InChIKeyMZTKTLAKCYRSCX-HXUWFJFHSA-N
MW423.58 g/mol
LogP5.49
Rot. Bonds4

About 4-(4-fluorophenyl)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]piperidine-1-carboxamide

4-(4-fluorophenyl)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]piperidine-1-carboxamide (PubChem CID 58509859) has the molecular formula C26H34FN3O and a molecular weight of 423.58 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]piperidine-1-carboxamide
PubChem CID58509859
Molecular FormulaC26H34FN3O
Molecular Weight423.58 g/mol
Exact Mass423.27
IUPAC Name4-(4-fluorophenyl)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]piperidine-1-carboxamide
SMILESC[C@@H]1CCCN(Cc2ccc(N(C)C(=O)N3CCC(c4ccc(F)cc4)CC3)cc2)C1
InChIInChI=1S/C26H34FN3O/c1-20-4-3-15-29(18-20)19-21-5-11-25(12-6-21)28(2)26(31)30-16-13-23(14-17-30)22-7-9-24(27)10-8-22/h5-12,20,23H,3-4,13-19H2,1-2H3/t20-/m1/s1
InChIKeyMZTKTLAKCYRSCX-HXUWFJFHSA-N
XLogP5.49
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.58
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluorophenyl)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]piperidine-1-carboxamide with MolForge

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Related Compounds

(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
4-(4-fluoroanilino)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide
CID 152783096
(3R)-1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 100777740
(2S)-4-[[4-[[4-(4-fluoroanilino)piperidine-1-carbonyl]-methylamino]phenyl]methyl]-2-methylpiperazine-1-carboxylic acid
CID 66670776
4-[[4-(4-fluorophenyl)azepan-1-yl]methyl]benzoic acid
CID 122032607
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99946484
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
N-methyl-N-[(4-methylphenyl)methyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 30379432
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
2-ethyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 60556525

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]piperidine-1-carboxamide (CID 58509859) is 4-(4-fluorophenyl)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]piperidine-1-carboxamide is C[C@@H]1CCCN(Cc2ccc(N(C)C(=O)N3CCC(c4ccc(F)cc4)CC3)cc2)C1.
What is the InChIKey of 4-(4-fluorophenyl)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]piperidine-1-carboxamide?
The InChIKey is MZTKTLAKCYRSCX-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H34FN3O/c1-20-4-3-15-29(18-20)19-21-5-11-25(12-6-21)28(2)26(31)30-16-13-23(14-17-30)22-7-9-24(27)10-8-22/h5-12,20,23H,3-4,13-19H2,1-2H3/t20-/m1/s1.
What are the key properties of 4-(4-fluorophenyl)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]piperidine-1-carboxamide?
4-(4-fluorophenyl)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]piperidine-1-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 58509859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).