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

C19H28FN3O — CID 53289357

IUPAC1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCN1CCC(NC(=O)C2CCCN(Cc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C19H28FN3O/c1-22-11-8-18(9-12-22)21-19(24)16-3-2-10-23(14-16)13-15-4-6-17(20)7-5-15/h4-7,16,18H,2-3,8-14H2,1H3,(H,21,24)
InChIKeyWMPKSKPRYGTZOL-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.25
Rot. Bonds4

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

1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 53289357) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID53289357
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCN1CCC(NC(=O)C2CCCN(Cc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C19H28FN3O/c1-22-11-8-18(9-12-22)21-19(24)16-3-2-10-23(14-16)13-15-4-6-17(20)7-5-15/h4-7,16,18H,2-3,8-14H2,1H3,(H,21,24)
InChIKeyWMPKSKPRYGTZOL-UHFFFAOYSA-N
XLogP2.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94024257
1-benzyl-N-piperidin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119389750
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431874
(3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557331
N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43923132
(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38102948
1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431625
1-[(4-fluorophenyl)methyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133204271
(3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 94024103
(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 93490919
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921645

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (CID 53289357) is 1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is CN1CCC(NC(=O)C2CCCN(Cc3ccc(F)cc3)C2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is WMPKSKPRYGTZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c1-22-11-8-18(9-12-22)21-19(24)16-3-2-10-23(14-16)13-15-4-6-17(20)7-5-15/h4-7,16,18H,2-3,8-14H2,1H3,(H,21,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 333.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53289357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).