butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate

C18H26N2O4 — CID 108559738

IUPACbutyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C18H26N2O4/c1-3-4-12-24-18(22)20-10-8-15(9-11-20)19-17(21)14-6-5-7-16(13-14)23-2/h5-7,13,15H,3-4,8-12H2,1-2H3,(H,19,21)
InChIKeyVDPZXUGQXKEECK-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.83
Rot. Bonds6

About butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate

butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate (PubChem CID 108559738) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate
PubChem CID108559738
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namebutyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C18H26N2O4/c1-3-4-12-24-18(22)20-10-8-15(9-11-20)19-17(21)14-6-5-7-16(13-14)23-2/h5-7,13,15H,3-4,8-12H2,1-2H3,(H,19,21)
InChIKeyVDPZXUGQXKEECK-UHFFFAOYSA-N
XLogP2.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(1-pentanoylpiperidin-4-yl)benzamide
CID 110819514
butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559158
butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559323
butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559396
butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate
CID 108561542
butyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562444
ethyl 4-[[N-[2-[(3-methoxybenzoyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111329544
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110822246
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate (CID 108559738) is butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate is CCCCOC(=O)N1CCC(NC(=O)c2cccc(OC)c2)CC1.
What is the InChIKey of butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is VDPZXUGQXKEECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-4-12-24-18(22)20-10-8-15(9-11-20)19-17(21)14-6-5-7-16(13-14)23-2/h5-7,13,15H,3-4,8-12H2,1-2H3,(H,19,21).
What are the key properties of butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate?
butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 108559738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).