1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide

C18H24F2N2O3 — CID 46943736

IUPAC1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1(C)CCCN(C(=O)c2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C18H24F2N2O3/c1-3-10-21-16(24)18(2)9-4-11-22(12-18)15(23)13-5-7-14(8-6-13)25-17(19)20/h5-8,17H,3-4,9-12H2,1-2H3,(H,21,24)
InChIKeyWUDHUKPUQRLPBS-UHFFFAOYSA-N
MW354.40 g/mol
LogP3.06
Rot. Bonds6

About 1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide

1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide (PubChem CID 46943736) has the molecular formula C18H24F2N2O3 and a molecular weight of 354.40 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide
PubChem CID46943736
Molecular FormulaC18H24F2N2O3
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1(C)CCCN(C(=O)c2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C18H24F2N2O3/c1-3-10-21-16(24)18(2)9-4-11-22(12-18)15(23)13-5-7-14(8-6-13)25-17(19)20/h5-8,17H,3-4,9-12H2,1-2H3,(H,21,24)
InChIKeyWUDHUKPUQRLPBS-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119502630
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide
CID 53117113
(3S)-1-(4-bromobenzoyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087327
N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide
CID 46942789
N-[2-(4-aminophenyl)ethyl]-1-benzoyl-3-methylpiperidine-3-carboxamide
CID 119548819
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
N-[2-(4-aminophenyl)ethyl]-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119548818
1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide
CID 111539458
(3S)-N-benzyl-1-(4-bromobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087595
1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117206
(3R)-1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087682
N-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119628747

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide (CID 46943736) is 1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1(C)CCCN(C(=O)c2ccc(OC(F)F)cc2)C1.
What is the InChIKey of 1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide?
The InChIKey is WUDHUKPUQRLPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O3/c1-3-10-21-16(24)18(2)9-4-11-22(12-18)15(23)13-5-7-14(8-6-13)25-17(19)20/h5-8,17H,3-4,9-12H2,1-2H3,(H,21,24).
What are the key properties of 1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide?
1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide has a molecular weight of 354.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 46943736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).