N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide

C23H27ClN2O3 — CID 42193450

IUPACN-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)c2ccccc2C)C1
InChIInChI=1S/C23H27ClN2O3/c1-16-6-3-4-8-19(16)23(28)26-13-5-7-17(15-26)9-12-22(27)25-20-14-18(24)10-11-21(20)29-2/h3-4,6,8,10-11,14,17H,5,7,9,12-13,15H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKeyAKAAUBGFJQNVHF-KRWDZBQOSA-N
MW414.93 g/mol
LogP4.93
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide (PubChem CID 42193450) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide
PubChem CID42193450
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)c2ccccc2C)C1
InChIInChI=1S/C23H27ClN2O3/c1-16-6-3-4-8-19(16)23(28)26-13-5-7-17(15-26)9-12-22(27)25-20-14-18(24)10-11-21(20)29-2/h3-4,6,8,10-11,14,17H,5,7,9,12-13,15H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKeyAKAAUBGFJQNVHF-KRWDZBQOSA-N
XLogP4.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide
CID 42565918
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N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
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N-(5-chloro-2-methoxyphenyl)-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanamide
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(3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
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3-[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 70763395
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3-[(3S)-1-(2-acetylbenzoyl)piperidin-3-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 25283405
3-[(3R)-1-(2-acetylbenzoyl)piperidin-3-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 25283407
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]propanamide
CID 25477368
3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 25302828
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide (CID 42193450) is N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide is COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)c2ccccc2C)C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide?
The InChIKey is AKAAUBGFJQNVHF-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-16-6-3-4-8-19(16)23(28)26-13-5-7-17(15-26)9-12-22(27)25-20-14-18(24)10-11-21(20)29-2/h3-4,6,8,10-11,14,17H,5,7,9,12-13,15H2,1-2H3,(H,25,27)/t17-/m0/s1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide has a molecular weight of 414.93 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 42193450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).