2-(2-chlorophenyl)-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone

C14H17ClN2O — CID 146039419

IUPAC2-(2-chlorophenyl)-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
SMILESCN1CC2(C1)CN(C(=O)Cc1ccccc1Cl)C2
InChIInChI=1S/C14H17ClN2O/c1-16-7-14(8-16)9-17(10-14)13(18)6-11-4-2-3-5-12(11)15/h2-5H,6-10H2,1H3
InChIKeyGPZQWRQZMRXVSQ-UHFFFAOYSA-N
MW264.76 g/mol
LogP1.66
Rot. Bonds2

About 2-(2-chlorophenyl)-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone

2-(2-chlorophenyl)-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone (PubChem CID 146039419) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
PubChem CID146039419
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-(2-chlorophenyl)-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
SMILESCN1CC2(C1)CN(C(=O)Cc1ccccc1Cl)C2
InChIInChI=1S/C14H17ClN2O/c1-16-7-14(8-16)9-17(10-14)13(18)6-11-4-2-3-5-12(11)15/h2-5H,6-10H2,1H3
InChIKeyGPZQWRQZMRXVSQ-UHFFFAOYSA-N
XLogP1.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727404
2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 110662368
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone
CID 170787411
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
2-(2-chlorophenyl)-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122341006
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134129
1-[4-(bromomethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 80677921
1-(3-bromopyrrolidin-1-yl)-2-(2-chlorophenyl)ethanone
CID 80677513
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
2-(2-chlorophenyl)-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone
CID 99903244

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone (CID 146039419) is 2-(2-chlorophenyl)-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone is CN1CC2(C1)CN(C(=O)Cc1ccccc1Cl)C2.
What is the InChIKey of 2-(2-chlorophenyl)-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone?
The InChIKey is GPZQWRQZMRXVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-16-7-14(8-16)9-17(10-14)13(18)6-11-4-2-3-5-12(11)15/h2-5H,6-10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone?
2-(2-chlorophenyl)-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone has a molecular weight of 264.76 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone is sourced from PubChem (CID 146039419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).