(3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide

C19H29N3O3 — CID 95093800

IUPAC(3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)CC[C@@H]1CCCN(C(=O)Nc2ccc(C)cc2)C1
InChIInChI=1S/C19H29N3O3/c1-15-5-8-17(9-6-15)21-19(24)22-12-3-4-16(14-22)7-10-18(23)20-11-13-25-2/h5-6,8-9,16H,3-4,7,10-14H2,1-2H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyGVQZWGXCRAZGEE-INIZCTEOSA-N
MW347.46 g/mol
LogP2.78
Rot. Bonds7

About (3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide

(3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 95093800) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
PubChem CID95093800
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)CC[C@@H]1CCCN(C(=O)Nc2ccc(C)cc2)C1
InChIInChI=1S/C19H29N3O3/c1-15-5-8-17(9-6-15)21-19(24)22-12-3-4-16(14-22)7-10-18(23)20-11-13-25-2/h5-6,8-9,16H,3-4,7,10-14H2,1-2H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyGVQZWGXCRAZGEE-INIZCTEOSA-N
XLogP2.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(4-methylphenyl)-3-[3-oxo-3-(2-pyrrolidin-1-ylethylamino)propyl]piperidine-1-carboxamide
CID 95093850
(3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 95093805
3-[3-(cycloheptylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 53138024
N-(4-fluorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138066
(3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094149
(3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 95056824
(3S)-N-(4-methylphenyl)-3-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]piperidine-1-carboxamide
CID 95093828
(3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide
CID 95093847
(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094068
(3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 97278510
N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505534
3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 25381997

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide (CID 95093800) is (3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide is COCCNC(=O)CC[C@@H]1CCCN(C(=O)Nc2ccc(C)cc2)C1.
What is the InChIKey of (3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is GVQZWGXCRAZGEE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15-5-8-17(9-6-15)21-19(24)22-12-3-4-16(14-22)7-10-18(23)20-11-13-25-2/h5-6,8-9,16H,3-4,7,10-14H2,1-2H3,(H,20,23)(H,21,24)/t16-/m0/s1.
What are the key properties of (3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
(3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 95093800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).