2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide

C25H29ClN2O4 — CID 25474499

IUPAC2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)[C@@H](NC(=O)c3ccccc3Cl)C(C)C)CC2)cc1
InChIInChI=1S/C25H29ClN2O4/c1-16(2)22(27-24(30)20-6-4-5-7-21(20)26)25(31)28-14-12-18(13-15-28)23(29)17-8-10-19(32-3)11-9-17/h4-11,16,18,22H,12-15H2,1-3H3,(H,27,30)/t22-/m0/s1
InChIKeyGRVZNQPZUAJNDH-QFIPXVFZSA-N
MW456.97 g/mol
LogP4.22
Rot. Bonds7

About 2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide

2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 25474499) has the molecular formula C25H29ClN2O4 and a molecular weight of 456.97 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID25474499
Molecular FormulaC25H29ClN2O4
Molecular Weight456.97 g/mol
Exact Mass456.18
IUPAC Name2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)[C@@H](NC(=O)c3ccccc3Cl)C(C)C)CC2)cc1
InChIInChI=1S/C25H29ClN2O4/c1-16(2)22(27-24(30)20-6-4-5-7-21(20)26)25(31)28-14-12-18(13-15-28)23(29)17-8-10-19(32-3)11-9-17/h4-11,16,18,22H,12-15H2,1-3H3,(H,27,30)/t22-/m0/s1
InChIKeyGRVZNQPZUAJNDH-QFIPXVFZSA-N
XLogP4.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide with MolForge

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Related Compounds

N-[(2S)-1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25496758
N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 55501604
N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 25473963
4-chloro-N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55502633
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
ethyl 1-[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]piperidine-4-carboxylate
CID 85498372
2-chloro-N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 119544388
2-[(4-methoxybenzoyl)amino]-N-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide
CID 2868109
N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 134055780
N-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide
CID 42934338
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 7997539
methyl 1-[3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]piperidine-4-carboxylate
CID 78779880

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide (CID 25474499) is 2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide is COc1ccc(C(=O)C2CCN(C(=O)[C@@H](NC(=O)c3ccccc3Cl)C(C)C)CC2)cc1.
What is the InChIKey of 2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is GRVZNQPZUAJNDH-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H29ClN2O4/c1-16(2)22(27-24(30)20-6-4-5-7-21(20)26)25(31)28-14-12-18(13-15-28)23(29)17-8-10-19(32-3)11-9-17/h4-11,16,18,22H,12-15H2,1-3H3,(H,27,30)/t22-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide?
2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 456.97 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 25474499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).