1-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

C20H35N3O4 — CID 55973834

IUPAC1-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)C2CCCN2C(=O)C(C)(C)C)CC1
InChIInChI=1S/C20H35N3O4/c1-20(2,3)19(26)23-11-5-7-16(23)18(25)22-12-8-15(9-13-22)17(24)21-10-6-14-27-4/h15-16H,5-14H2,1-4H3,(H,21,24)
InChIKeyBAJTYDMXKOVIRK-UHFFFAOYSA-N
MW381.52 g/mol
LogP1.41
Rot. Bonds6

About 1-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

1-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 55973834) has the molecular formula C20H35N3O4 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID55973834
Molecular FormulaC20H35N3O4
Molecular Weight381.52 g/mol
Exact Mass381.26
IUPAC Name1-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)C2CCCN2C(=O)C(C)(C)C)CC1
InChIInChI=1S/C20H35N3O4/c1-20(2,3)19(26)23-11-5-7-16(23)18(25)22-12-8-15(9-13-22)17(24)21-10-6-14-27-4/h15-16H,5-14H2,1-4H3,(H,21,24)
InChIKeyBAJTYDMXKOVIRK-UHFFFAOYSA-N
XLogP1.41
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclobutanecarbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 113003322
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146641
1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
methyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-4-carboxylate
CID 94014523
N-(2-methoxyethyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145922
N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 113003294
N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 55953689
(2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94106905
ethyl 4-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]butanoate
CID 78794482
4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 86998998
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55953557

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 55973834) is 1-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(=O)C2CCCN2C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is BAJTYDMXKOVIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O4/c1-20(2,3)19(26)23-11-5-7-16(23)18(25)22-12-8-15(9-13-22)17(24)21-10-6-14-27-4/h15-16H,5-14H2,1-4H3,(H,21,24).
What are the key properties of 1-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55973834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).