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

C24H30ClN3O3 — CID 25274792

IUPACN-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1
InChIInChI=1S/C24H30ClN3O3/c1-27(2)20-8-4-7-18(14-20)24(30)28-13-5-6-17(16-28)9-12-23(29)26-21-15-19(25)10-11-22(21)31-3/h4,7-8,10-11,14-15,17H,5-6,9,12-13,16H2,1-3H3,(H,26,29)/t17-/m0/s1
InChIKeyHZURNUXRQXAIIE-KRWDZBQOSA-N
MW443.98 g/mol
LogP4.69
Rot. Bonds7

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

N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]propanamide (PubChem CID 25274792) has the molecular formula C24H30ClN3O3 and a molecular weight of 443.98 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
PubChem CID25274792
Molecular FormulaC24H30ClN3O3
Molecular Weight443.98 g/mol
Exact Mass443.20
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1
InChIInChI=1S/C24H30ClN3O3/c1-27(2)20-8-4-7-18(14-20)24(30)28-13-5-6-17(16-28)9-12-23(29)26-21-15-19(25)10-11-22(21)31-3/h4,7-8,10-11,14-15,17H,5-6,9,12-13,16H2,1-3H3,(H,26,29)/t17-/m0/s1
InChIKeyHZURNUXRQXAIIE-KRWDZBQOSA-N
XLogP4.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 70763395
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide
CID 42565918
N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide
CID 42193450
N-(5-chloro-2-methoxyphenyl)-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 45197857
(3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 97278510
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide
CID 25277586
3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide
CID 26395981
[3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 63767839
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide
CID 25486961
N-(5-chloro-2-methoxyphenyl)-3-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]propanamide
CID 45191588
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]propanamide
CID 25477368
N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide
CID 72931584

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]propanamide (CID 25274792) is N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]propanamide is COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]propanamide?
The InChIKey is HZURNUXRQXAIIE-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H30ClN3O3/c1-27(2)20-8-4-7-18(14-20)24(30)28-13-5-6-17(16-28)9-12-23(29)26-21-15-19(25)10-11-22(21)31-3/h4,7-8,10-11,14-15,17H,5-6,9,12-13,16H2,1-3H3,(H,26,29)/t17-/m0/s1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]propanamide has a molecular weight of 443.98 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 25274792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).