5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-6,6-dimethylpiperidin-2-one

C19H28ClN3O — CID 126807805

IUPAC5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-6,6-dimethylpiperidin-2-one
SMILESCC1(C)NC(=O)CCC1NC1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C19H28ClN3O/c1-19(2)17(7-8-18(24)22-19)21-15-9-11-23(12-10-15)13-14-5-3-4-6-16(14)20/h3-6,15,17,21H,7-13H2,1-2H3,(H,22,24)
InChIKeyRIDIZJYPAUMNHN-UHFFFAOYSA-N
MW349.91 g/mol
LogP2.95
Rot. Bonds4

About 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-6,6-dimethylpiperidin-2-one

5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-6,6-dimethylpiperidin-2-one (PubChem CID 126807805) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-6,6-dimethylpiperidin-2-one.

Molecular Properties

Compound Name5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-6,6-dimethylpiperidin-2-one
PubChem CID126807805
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC Name5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-6,6-dimethylpiperidin-2-one
SMILESCC1(C)NC(=O)CCC1NC1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C19H28ClN3O/c1-19(2)17(7-8-18(24)22-19)21-15-9-11-23(12-10-15)13-14-5-3-4-6-16(14)20/h3-6,15,17,21H,7-13H2,1-2H3,(H,22,24)
InChIKeyRIDIZJYPAUMNHN-UHFFFAOYSA-N
XLogP2.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
CID 45205641
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol
CID 172900561
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 55090709
2-[[3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122042708
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine
CID 3362451
2-methylpropyl 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]piperidine-1-carboxylate
CID 126799155
(3aS,10aS)-2-[(2-chlorophenyl)methyl]-10a-methyl-1,3,3a,4-tetrahydropyrrolo[3,4-c][2]benzazepine-5,10-dione
CID 46973928
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
1-[(2-chloro-6-ethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 120839784
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
3-[2-chloro-3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 178099235

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-6,6-dimethylpiperidin-2-one?
The IUPAC name of 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-6,6-dimethylpiperidin-2-one (CID 126807805) is 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-6,6-dimethylpiperidin-2-one.
What is the SMILES notation for 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-6,6-dimethylpiperidin-2-one?
The canonical SMILES for 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-6,6-dimethylpiperidin-2-one is CC1(C)NC(=O)CCC1NC1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-6,6-dimethylpiperidin-2-one?
The InChIKey is RIDIZJYPAUMNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O/c1-19(2)17(7-8-18(24)22-19)21-15-9-11-23(12-10-15)13-14-5-3-4-6-16(14)20/h3-6,15,17,21H,7-13H2,1-2H3,(H,22,24).
What are the key properties of 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-6,6-dimethylpiperidin-2-one?
5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-6,6-dimethylpiperidin-2-one has a molecular weight of 349.91 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-6,6-dimethylpiperidin-2-one is sourced from PubChem (CID 126807805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).