N'-(2-acetyl-4-piperidin-1-ylphenyl)-2-chloroethanimidamide

C15H20ClN3O — CID 169368603

IUPACN'-(2-acetyl-4-piperidin-1-ylphenyl)-2-chloroethanimidamide
SMILESCC(=O)c1cc(N2CCCCC2)ccc1/N=C(/N)CCl
InChIInChI=1S/C15H20ClN3O/c1-11(20)13-9-12(19-7-3-2-4-8-19)5-6-14(13)18-15(17)10-16/h5-6,9H,2-4,7-8,10H2,1H3,(H2,17,18)
InChIKeyWCODGSPANRSUQW-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.11
Rot. Bonds4

About N'-(2-acetyl-4-piperidin-1-ylphenyl)-2-chloroethanimidamide

N'-(2-acetyl-4-piperidin-1-ylphenyl)-2-chloroethanimidamide (PubChem CID 169368603) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N'-(2-acetyl-4-piperidin-1-ylphenyl)-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-(2-acetyl-4-piperidin-1-ylphenyl)-2-chloroethanimidamide
PubChem CID169368603
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN'-(2-acetyl-4-piperidin-1-ylphenyl)-2-chloroethanimidamide
SMILESCC(=O)c1cc(N2CCCCC2)ccc1/N=C(/N)CCl
InChIInChI=1S/C15H20ClN3O/c1-11(20)13-9-12(19-7-3-2-4-8-19)5-6-14(13)18-15(17)10-16/h5-6,9H,2-4,7-8,10H2,1H3,(H2,17,18)
InChIKeyWCODGSPANRSUQW-UHFFFAOYSA-N
XLogP3.11
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)ethanimidamide
CID 169368298
2-chloro-N'-(5-morpholin-4-yl-2-nitrophenyl)ethanimidamide
CID 169367449
2-amino-5-(azepan-1-yl)benzamide
CID 61313055
1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone
CID 130547309
2-[(1-amino-2-chloroethylidene)amino]-4-(1,2,4-triazol-4-yl)benzoic acid
CID 169365884
1-[2-amino-5-(1,4-oxazepan-4-yl)phenyl]ethanone
CID 113433024
5-(azepan-1-yl)-2-fluorobenzoic acid
CID 79694518
2-amino-1-(2-amino-5-pyrrolidin-1-ylphenyl)ethanone
CID 170861013
4-[(1-amino-2-chloroethylidene)amino]-3-methoxybenzoic acid
CID 169365205
1-(2-amino-5-piperazin-1-ylphenyl)ethanone
CID 104612700
(2-amino-5-piperidin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 23610433
2-fluoro-5-pyrrolidin-1-ylbenzoic acid
CID 15372186

Frequently Asked Questions

What is the IUPAC name of N'-(2-acetyl-4-piperidin-1-ylphenyl)-2-chloroethanimidamide?
The IUPAC name of N'-(2-acetyl-4-piperidin-1-ylphenyl)-2-chloroethanimidamide (CID 169368603) is N'-(2-acetyl-4-piperidin-1-ylphenyl)-2-chloroethanimidamide.
What is the SMILES notation for N'-(2-acetyl-4-piperidin-1-ylphenyl)-2-chloroethanimidamide?
The canonical SMILES for N'-(2-acetyl-4-piperidin-1-ylphenyl)-2-chloroethanimidamide is CC(=O)c1cc(N2CCCCC2)ccc1/N=C(/N)CCl.
What is the InChIKey of N'-(2-acetyl-4-piperidin-1-ylphenyl)-2-chloroethanimidamide?
The InChIKey is WCODGSPANRSUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-11(20)13-9-12(19-7-3-2-4-8-19)5-6-14(13)18-15(17)10-16/h5-6,9H,2-4,7-8,10H2,1H3,(H2,17,18).
What are the key properties of N'-(2-acetyl-4-piperidin-1-ylphenyl)-2-chloroethanimidamide?
N'-(2-acetyl-4-piperidin-1-ylphenyl)-2-chloroethanimidamide has a molecular weight of 293.80 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-acetyl-4-piperidin-1-ylphenyl)-2-chloroethanimidamide is sourced from PubChem (CID 169368603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).