N,N-dimethyl-4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide

C19H23F3N2O3 — CID 23723403

IUPACN,N-dimethyl-4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide
SMILESCN(C)C(=O)CCC(=O)N1CCCC(C(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H23F3N2O3/c1-23(2)16(25)9-10-17(26)24-11-3-4-14(12-24)18(27)13-5-7-15(8-6-13)19(20,21)22/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyDNNHEARXHBCDKP-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.00
Rot. Bonds5

About N,N-dimethyl-4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide

N,N-dimethyl-4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide (PubChem CID 23723403) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is N,N-dimethyl-4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide
PubChem CID23723403
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC NameN,N-dimethyl-4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide
SMILESCN(C)C(=O)CCC(=O)N1CCCC(C(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H23F3N2O3/c1-23(2)16(25)9-10-17(26)24-11-3-4-14(12-24)18(27)13-5-7-15(8-6-13)19(20,21)22/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyDNNHEARXHBCDKP-UHFFFAOYSA-N
XLogP3.00
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tolperisone
CID 5511
Melperone
CID 15387
Eperisone
CID 3236
Tolperisone Hydrochloride
CID 92965
Melperone hydrochloride
CID 9926325
Eperisone Hydrochloride
CID 123698
Lenperone
CID 32593
Lanperisone
CID 198707
Roxoperone
CID 71117
[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-(4-fluoro-phenyl)-methanone
CID 1437837
[1-(4-Methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
1-Propanone, 2-methyl-1-phenyl-3-(1-piperidinyl)
CID 90769

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide?
The IUPAC name of N,N-dimethyl-4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide (CID 23723403) is N,N-dimethyl-4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide.
What is the SMILES notation for N,N-dimethyl-4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide?
The canonical SMILES for N,N-dimethyl-4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide is CN(C)C(=O)CCC(=O)N1CCCC(C(=O)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N,N-dimethyl-4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide?
The InChIKey is DNNHEARXHBCDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c1-23(2)16(25)9-10-17(26)24-11-3-4-14(12-24)18(27)13-5-7-15(8-6-13)19(20,21)22/h5-8,14H,3-4,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide?
N,N-dimethyl-4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide has a molecular weight of 384.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide is sourced from PubChem (CID 23723403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).