4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide

C24H30N2O3 — CID 53150590

IUPAC4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N2CCC(COc3ccc(C(=O)NC(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-17(2)25-23(27)20-8-10-22(11-9-20)29-16-19-12-14-26(15-13-19)24(28)21-6-4-18(3)5-7-21/h4-11,17,19H,12-16H2,1-3H3,(H,25,27)
InChIKeyKRPFXDPIANULFY-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.06
Rot. Bonds6

About 4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide

4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide (PubChem CID 53150590) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
PubChem CID53150590
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N2CCC(COc3ccc(C(=O)NC(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-17(2)25-23(27)20-8-10-22(11-9-20)29-16-19-12-14-26(15-13-19)24(28)21-6-4-18(3)5-7-21/h4-11,17,19H,12-16H2,1-3H3,(H,25,27)
InChIKeyKRPFXDPIANULFY-UHFFFAOYSA-N
XLogP4.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150582
4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900722
4-[[1-(furan-2-carbonyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150573
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097911
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097994
[4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119520348
2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150427
4-[[(2S)-1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900638
(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119376325
cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 53150344

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide (CID 53150590) is 4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N2CCC(COc3ccc(C(=O)NC(C)C)cc3)CC2)cc1.
What is the InChIKey of 4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide?
The InChIKey is KRPFXDPIANULFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17(2)25-23(27)20-8-10-22(11-9-20)29-16-19-12-14-26(15-13-19)24(28)21-6-4-18(3)5-7-21/h4-11,17,19H,12-16H2,1-3H3,(H,25,27).
What are the key properties of 4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide?
4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide has a molecular weight of 394.52 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide is sourced from PubChem (CID 53150590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).