N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide

C21H30N4O — CID 90494174

IUPACN-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCC(Cn3ccnc3C(C)C)CC2)c1
InChIInChI=1S/C21H30N4O/c1-16(2)21-22-9-12-25(21)14-18-7-10-24(11-8-18)15-20(26)23-19-6-4-5-17(3)13-19/h4-6,9,12-13,16,18H,7-8,10-11,14-15H2,1-3H3,(H,23,26)
InChIKeySPSWQPUSNNUHCD-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.67
Rot. Bonds6

About N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide

N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 90494174) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
PubChem CID90494174
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCC(Cn3ccnc3C(C)C)CC2)c1
InChIInChI=1S/C21H30N4O/c1-16(2)21-22-9-12-25(21)14-18-7-10-24(11-8-18)15-20(26)23-19-6-4-5-17(3)13-19/h4-6,9,12-13,16,18H,7-8,10-11,14-15H2,1-3H3,(H,23,26)
InChIKeySPSWQPUSNNUHCD-UHFFFAOYSA-N
XLogP3.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90494205
N-(4-nitrophenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494209
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63248780
N-(3-fluorophenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494417
N-(4-acetamidophenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494672
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 90493981
1-piperidin-1-yl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494161
N-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494424
N-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90493968
2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide
CID 90561328
N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90561231
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide (CID 90494174) is N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCC(Cn3ccnc3C(C)C)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The InChIKey is SPSWQPUSNNUHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-16(2)21-22-9-12-25(21)14-18-7-10-24(11-8-18)15-20(26)23-19-6-4-5-17(3)13-19/h4-6,9,12-13,16,18H,7-8,10-11,14-15H2,1-3H3,(H,23,26).
What are the key properties of N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 354.50 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90494174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).