2-(4-azidophenyl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide

C20H29N5O — CID 21328053

IUPAC2-(4-azidophenyl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide
SMILESCN(C(=O)Cc1ccc(N=[N+]=[N-])cc1)C1CCCCC1N1CCCCC1
InChIInChI=1S/C20H29N5O/c1-24(20(26)15-16-9-11-17(12-10-16)22-23-21)18-7-3-4-8-19(18)25-13-5-2-6-14-25/h9-12,18-19H,2-8,13-15H2,1H3
InChIKeyNOQAEJDWZZOBNO-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.43
Rot. Bonds5

About 2-(4-azidophenyl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide

2-(4-azidophenyl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide (PubChem CID 21328053) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-(4-azidophenyl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4-azidophenyl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide
PubChem CID21328053
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2-(4-azidophenyl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide
SMILESCN(C(=O)Cc1ccc(N=[N+]=[N-])cc1)C1CCCCC1N1CCCCC1
InChIInChI=1S/C20H29N5O/c1-24(20(26)15-16-9-11-17(12-10-16)22-23-21)18-7-3-4-8-19(18)25-13-5-2-6-14-25/h9-12,18-19H,2-8,13-15H2,1H3
InChIKeyNOQAEJDWZZOBNO-UHFFFAOYSA-N
XLogP4.43
TPSA72.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46878006
2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
CID 54611509
N-methyl-2-(4-nitrophenyl)-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 14632710
N-methyl-2-(4-nitrophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46878015
(E)-but-2-enedioic acid;2-(4-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 54611504
2-(3-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide
CID 14771377
2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 19872097
N-[2-(azetidin-1-yl)cyclononyl]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 21328090
N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]-2-(2-thionitrosophenyl)acetamide
CID 70693910
2-(1-benzothiophen-4-yl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide
CID 14040470
2-methoxy-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 139605835
N-methyl-2-phenylsulfanyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 18603294

Frequently Asked Questions

What is the IUPAC name of 2-(4-azidophenyl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide?
The IUPAC name of 2-(4-azidophenyl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide (CID 21328053) is 2-(4-azidophenyl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide.
What is the SMILES notation for 2-(4-azidophenyl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide?
The canonical SMILES for 2-(4-azidophenyl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide is CN(C(=O)Cc1ccc(N=[N+]=[N-])cc1)C1CCCCC1N1CCCCC1.
What is the InChIKey of 2-(4-azidophenyl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide?
The InChIKey is NOQAEJDWZZOBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-24(20(26)15-16-9-11-17(12-10-16)22-23-21)18-7-3-4-8-19(18)25-13-5-2-6-14-25/h9-12,18-19H,2-8,13-15H2,1H3.
What are the key properties of 2-(4-azidophenyl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide?
2-(4-azidophenyl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide has a molecular weight of 355.49 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azidophenyl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide is sourced from PubChem (CID 21328053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).