2,2,3,3-tetramethyl-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide

C17H26N4O2 — CID 128983921

IUPAC2,2,3,3-tetramethyl-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide
SMILESCn1cncc1[C@@H]1NC(=O)CC[C@H]1NC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H26N4O2/c1-16(2)14(17(16,3)4)15(23)19-10-6-7-12(22)20-13(10)11-8-18-9-21(11)5/h8-10,13-14H,6-7H2,1-5H3,(H,19,23)(H,20,22)/t10-,13-/m1/s1
InChIKeyPMNCJFHCZJSTDF-ZWNOBZJWSA-N
MW318.42 g/mol
LogP1.54
Rot. Bonds3

About 2,2,3,3-tetramethyl-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide

2,2,3,3-tetramethyl-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 128983921) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide
PubChem CID128983921
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2,2,3,3-tetramethyl-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide
SMILESCn1cncc1[C@@H]1NC(=O)CC[C@H]1NC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H26N4O2/c1-16(2)14(17(16,3)4)15(23)19-10-6-7-12(22)20-13(10)11-8-18-9-21(11)5/h8-10,13-14H,6-7H2,1-5H3,(H,19,23)(H,20,22)/t10-,13-/m1/s1
InChIKeyPMNCJFHCZJSTDF-ZWNOBZJWSA-N
XLogP1.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2,3,3-tetramethyl-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2,3,3-tetramethyl-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide (CID 128983921) is 2,2,3,3-tetramethyl-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2,3,3-tetramethyl-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide is Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NC(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is PMNCJFHCZJSTDF-ZWNOBZJWSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-16(2)14(17(16,3)4)15(23)19-10-6-7-12(22)20-13(10)11-8-18-9-21(11)5/h8-10,13-14H,6-7H2,1-5H3,(H,19,23)(H,20,22)/t10-,13-/m1/s1.
What are the key properties of 2,2,3,3-tetramethyl-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide?
2,2,3,3-tetramethyl-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-[(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 128983921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).