4-[formyl(2-methoxyethyl)amino]-N-methyl-1-[(3-methylphenyl)methyl]-N-(3-phenoxypropyl)piperidine-4-carboxamide

C28H39N3O4 — CID 143341369

IUPAC4-[formyl(2-methoxyethyl)amino]-N-methyl-1-[(3-methylphenyl)methyl]-N-(3-phenoxypropyl)piperidine-4-carboxamide
SMILESCOCCN(C=O)C1(C(=O)N(C)CCCOc2ccccc2)CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C28H39N3O4/c1-24-9-7-10-25(21-24)22-30-16-13-28(14-17-30,31(23-32)18-20-34-3)27(33)29(2)15-8-19-35-26-11-5-4-6-12-26/h4-7,9-12,21,23H,8,13-20,22H2,1-3H3
InChIKeyXUGGWRMQINKOBW-UHFFFAOYSA-N
MW481.64 g/mol
LogP3.36
Rot. Bonds13

About 4-[formyl(2-methoxyethyl)amino]-N-methyl-1-[(3-methylphenyl)methyl]-N-(3-phenoxypropyl)piperidine-4-carboxamide

4-[formyl(2-methoxyethyl)amino]-N-methyl-1-[(3-methylphenyl)methyl]-N-(3-phenoxypropyl)piperidine-4-carboxamide (PubChem CID 143341369) has the molecular formula C28H39N3O4 and a molecular weight of 481.64 g/mol. Its IUPAC name is 4-[formyl(2-methoxyethyl)amino]-N-methyl-1-[(3-methylphenyl)methyl]-N-(3-phenoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-[formyl(2-methoxyethyl)amino]-N-methyl-1-[(3-methylphenyl)methyl]-N-(3-phenoxypropyl)piperidine-4-carboxamide
PubChem CID143341369
Molecular FormulaC28H39N3O4
Molecular Weight481.64 g/mol
Exact Mass481.29
IUPAC Name4-[formyl(2-methoxyethyl)amino]-N-methyl-1-[(3-methylphenyl)methyl]-N-(3-phenoxypropyl)piperidine-4-carboxamide
SMILESCOCCN(C=O)C1(C(=O)N(C)CCCOc2ccccc2)CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C28H39N3O4/c1-24-9-7-10-25(21-24)22-30-16-13-28(14-17-30,31(23-32)18-20-34-3)27(33)29(2)15-8-19-35-26-11-5-4-6-12-26/h4-7,9-12,21,23H,8,13-20,22H2,1-3H3
InChIKeyXUGGWRMQINKOBW-UHFFFAOYSA-N
XLogP3.36
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.64
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-8-[(3-methylphenyl)methyl]-3-(3-phenoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 59169751
4-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155873379
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70731676
4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol
CID 16677696
N-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 54306558
1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110818367
2-[methyl-[1-[[3-(3-phenylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
CID 122042847
4-(4-butoxyphenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 10994203
1-(3-methylphenyl)-4-phenoxybutan-2-one
CID 55023485
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
(3R,4R)-3-benzyl-1-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-4-hydroxypiperidine-3-carboxylic acid;formic acid
CID 171322398
N-benzyl-N-methyl-1-[(3-methylphenyl)methyl]piperidin-4-amine;oxalic acid
CID 17369343

Frequently Asked Questions

What is the IUPAC name of 4-[formyl(2-methoxyethyl)amino]-N-methyl-1-[(3-methylphenyl)methyl]-N-(3-phenoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 4-[formyl(2-methoxyethyl)amino]-N-methyl-1-[(3-methylphenyl)methyl]-N-(3-phenoxypropyl)piperidine-4-carboxamide (CID 143341369) is 4-[formyl(2-methoxyethyl)amino]-N-methyl-1-[(3-methylphenyl)methyl]-N-(3-phenoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-[formyl(2-methoxyethyl)amino]-N-methyl-1-[(3-methylphenyl)methyl]-N-(3-phenoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 4-[formyl(2-methoxyethyl)amino]-N-methyl-1-[(3-methylphenyl)methyl]-N-(3-phenoxypropyl)piperidine-4-carboxamide is COCCN(C=O)C1(C(=O)N(C)CCCOc2ccccc2)CCN(Cc2cccc(C)c2)CC1.
What is the InChIKey of 4-[formyl(2-methoxyethyl)amino]-N-methyl-1-[(3-methylphenyl)methyl]-N-(3-phenoxypropyl)piperidine-4-carboxamide?
The InChIKey is XUGGWRMQINKOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O4/c1-24-9-7-10-25(21-24)22-30-16-13-28(14-17-30,31(23-32)18-20-34-3)27(33)29(2)15-8-19-35-26-11-5-4-6-12-26/h4-7,9-12,21,23H,8,13-20,22H2,1-3H3.
What are the key properties of 4-[formyl(2-methoxyethyl)amino]-N-methyl-1-[(3-methylphenyl)methyl]-N-(3-phenoxypropyl)piperidine-4-carboxamide?
4-[formyl(2-methoxyethyl)amino]-N-methyl-1-[(3-methylphenyl)methyl]-N-(3-phenoxypropyl)piperidine-4-carboxamide has a molecular weight of 481.64 g/mol, XLogP of 3.36, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[formyl(2-methoxyethyl)amino]-N-methyl-1-[(3-methylphenyl)methyl]-N-(3-phenoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 143341369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).