1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide

C20H29N3O4 — CID 20972958

IUPAC1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCCCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCCOC)CC2)cc1
InChIInChI=1S/C20H29N3O4/c1-3-4-18(24)22-17-7-5-16(6-8-17)20(26)23-12-9-15(10-13-23)19(25)21-11-14-27-2/h5-8,15H,3-4,9-14H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyZZMHXTDMGXKCBG-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.04
Rot. Bonds8

About 1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide

1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 20972958) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID20972958
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCCCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCCOC)CC2)cc1
InChIInChI=1S/C20H29N3O4/c1-3-4-18(24)22-17-7-5-16(6-8-17)20(26)23-12-9-15(10-13-23)19(25)21-11-14-27-2/h5-8,15H,3-4,9-14H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyZZMHXTDMGXKCBG-UHFFFAOYSA-N
XLogP2.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.04
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

ethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate
CID 119797301
4-(butanoylamino)-N-(2-methoxyethyl)benzamide
CID 4265355
N-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 131908404
1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-propylpiperidine-4-carboxamide
CID 20973017
N-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54835788
N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54836112
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973005
1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 46387291
N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973011
N-[4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836878
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591

Frequently Asked Questions

What is the IUPAC name of 1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 20972958) is 1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is CCCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCCOC)CC2)cc1.
What is the InChIKey of 1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is ZZMHXTDMGXKCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-3-4-18(24)22-17-7-5-16(6-8-17)20(26)23-12-9-15(10-13-23)19(25)21-11-14-27-2/h5-8,15H,3-4,9-14H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 20972958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).