(3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide

C19H28ClN3O4 — CID 97278510

IUPAC(3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC[C@@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1
InChIInChI=1S/C19H28ClN3O4/c1-26-11-9-21-19(25)23-10-3-4-14(13-23)5-8-18(24)22-16-12-15(20)6-7-17(16)27-2/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H,21,25)(H,22,24)/t14-/m0/s1
InChIKeyAACLMPWVUXHVBB-AWEZNQCLSA-N
MW397.90 g/mol
LogP3.14
Rot. Bonds8

About (3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide

(3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide (PubChem CID 97278510) has the molecular formula C19H28ClN3O4 and a molecular weight of 397.90 g/mol. Its IUPAC name is (3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
PubChem CID97278510
Molecular FormulaC19H28ClN3O4
Molecular Weight397.90 g/mol
Exact Mass397.18
IUPAC Name(3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC[C@@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1
InChIInChI=1S/C19H28ClN3O4/c1-26-11-9-21-19(25)23-10-3-4-14(13-23)5-8-18(24)22-16-12-15(20)6-7-17(16)27-2/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H,21,25)(H,22,24)/t14-/m0/s1
InChIKeyAACLMPWVUXHVBB-AWEZNQCLSA-N
XLogP3.14
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 42193450
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CID 45197857
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-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide
CID 25486961
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide
CID 25277586
3-[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 70763395
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-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
CID 25274792
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-propylsulfonylpiperidin-3-yl]propanamide
CID 97280553
N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide
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N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide (CID 97278510) is (3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide is COCCNC(=O)N1CCC[C@@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1.
What is the InChIKey of (3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide?
The InChIKey is AACLMPWVUXHVBB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28ClN3O4/c1-26-11-9-21-19(25)23-10-3-4-14(13-23)5-8-18(24)22-16-12-15(20)6-7-17(16)27-2/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H,21,25)(H,22,24)/t14-/m0/s1.
What are the key properties of (3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide?
(3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide has a molecular weight of 397.90 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97278510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).