ethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate

C17H27N3O3 — CID 110699015

IUPACethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccn(C(C)(C)C)c2)CC1
InChIInChI=1S/C17H27N3O3/c1-5-23-16(22)19-9-7-14(8-10-19)18-15(21)13-6-11-20(12-13)17(2,3)4/h6,11-12,14H,5,7-10H2,1-4H3,(H,18,21)
InChIKeyUVRUSTUNQOIDFU-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.59
Rot. Bonds3

About ethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 110699015) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is ethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate
PubChem CID110699015
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Nameethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccn(C(C)(C)C)c2)CC1
InChIInChI=1S/C17H27N3O3/c1-5-23-16(22)19-9-7-14(8-10-19)18-15(21)13-6-11-20(12-13)17(2,3)4/h6,11-12,14H,5,7-10H2,1-4H3,(H,18,21)
InChIKeyUVRUSTUNQOIDFU-UHFFFAOYSA-N
XLogP2.59
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate 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

ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701
ethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate
CID 31542255
ethyl 4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 31843166
ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate
CID 110762169
1-tert-butyl-N-(oxolan-3-yl)pyrrole-3-carboxamide
CID 167621877
ethyl 4-[(6-methoxypyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 31844781
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
ethyl 4-[[5-(cyclopropylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109247316
ethyl 4-[(4-methoxy-3-methylsulfonylbenzoyl)amino]piperidine-1-carboxylate
CID 110413308

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate (CID 110699015) is ethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccn(C(C)(C)C)c2)CC1.
What is the InChIKey of ethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is UVRUSTUNQOIDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-5-23-16(22)19-9-7-14(8-10-19)18-15(21)13-6-11-20(12-13)17(2,3)4/h6,11-12,14H,5,7-10H2,1-4H3,(H,18,21).
What are the key properties of ethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 110699015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).