4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide

C27H34N2O4 — CID 25473091

IUPAC4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)[C@@H](C)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C27H34N2O4/c1-18(28-25(31)21-6-10-22(11-7-21)27(2,3)4)26(32)29-16-14-20(15-17-29)24(30)19-8-12-23(33-5)13-9-19/h6-13,18,20H,14-17H2,1-5H3,(H,28,31)/t18-/m1/s1
InChIKeyDKUCUJMEPIQONW-GOSISDBHSA-N
MW450.58 g/mol
LogP4.23
Rot. Bonds6

About 4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide

4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide (PubChem CID 25473091) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
PubChem CID25473091
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Name4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)[C@@H](C)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C27H34N2O4/c1-18(28-25(31)21-6-10-22(11-7-21)27(2,3)4)26(32)29-16-14-20(15-17-29)24(30)19-8-12-23(33-5)13-9-19/h6-13,18,20H,14-17H2,1-5H3,(H,28,31)/t18-/m1/s1
InChIKeyDKUCUJMEPIQONW-GOSISDBHSA-N
XLogP4.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[4-(4-methylbenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55956466
4-chloro-N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55502633
N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 25473963
[(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 41307290
2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 25474499
1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55485462
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25473593
N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 55501604
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 30798104
4-tert-butyl-N-[(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55944109
N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 134055780
[1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 41307097

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide (CID 25473091) is 4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide is COc1ccc(C(=O)C2CCN(C(=O)[C@@H](C)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The InChIKey is DKUCUJMEPIQONW-GOSISDBHSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-18(28-25(31)21-6-10-22(11-7-21)27(2,3)4)26(32)29-16-14-20(15-17-29)24(30)19-8-12-23(33-5)13-9-19/h6-13,18,20H,14-17H2,1-5H3,(H,28,31)/t18-/m1/s1.
What are the key properties of 4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide has a molecular weight of 450.58 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 25473091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).