4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide

C17H28N4O2 — CID 131963672

IUPAC4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide
SMILESCc1cccc(CNC(=O)N2CCN(CC(C)(C)O)CC2C)n1
InChIInChI=1S/C17H28N4O2/c1-13-6-5-7-15(19-13)10-18-16(22)21-9-8-20(11-14(21)2)12-17(3,4)23/h5-7,14,23H,8-12H2,1-4H3,(H,18,22)
InChIKeyVKEYBLIRZTWWQR-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.38
Rot. Bonds4

About 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide

4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide (PubChem CID 131963672) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide
PubChem CID131963672
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide
SMILESCc1cccc(CNC(=O)N2CCN(CC(C)(C)O)CC2C)n1
InChIInChI=1S/C17H28N4O2/c1-13-6-5-7-15(19-13)10-18-16(22)21-9-8-20(11-14(21)2)12-17(3,4)23/h5-7,14,23H,8-12H2,1-4H3,(H,18,22)
InChIKeyVKEYBLIRZTWWQR-UHFFFAOYSA-N
XLogP1.38
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-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

Related Compounds

N-butyl-N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide
CID 25181801
N-butyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide
CID 57574921
N-ethyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-N-propan-2-ylpiperidine-1-carboxamide
CID 57574953
N-tert-butyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide
CID 57575036
Urea, 1,1'-(2,6-pyridylidenedimethylene)bis(3-methyl-
CID 204547
1,1-Dimethylethyl N-((6-(aminomethyl)-2-pyridinyl)methyl)carbamate
CID 53923225
Tert-butyl 4-(6-(aminomethyl)pyridin-2-yl)piperazine-1-carboxylate
CID 112694258
1-(2-Hydroxy-3-methoxypropyl)-1-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 53505052
Methyl 3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 71880256
1-(4-Methoxy-4-methylpentan-2-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 71926036
(8aS)-7-[(6-methyl-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 75368564
3-(2-Hydroxypropyl)-1-{1-[(pyridin-2-yl)methyl]piperidin-4-yl}urea
CID 75461319

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide (CID 131963672) is 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide is Cc1cccc(CNC(=O)N2CCN(CC(C)(C)O)CC2C)n1.
What is the InChIKey of 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide?
The InChIKey is VKEYBLIRZTWWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-6-5-7-15(19-13)10-18-16(22)21-9-8-20(11-14(21)2)12-17(3,4)23/h5-7,14,23H,8-12H2,1-4H3,(H,18,22).
What are the key properties of 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide?
4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 131963672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).