2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride

C18H29Cl2N3O — CID 119842954

IUPAC2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.O=C(CNc1ccccc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H27N3O.2ClH/c22-18(15-19-16-7-3-1-4-8-16)21-13-9-17(10-14-21)20-11-5-2-6-12-20;;/h1,3-4,7-8,17,19H,2,5-6,9-15H2;2*1H
InChIKeyQTCHERPQQDIVKI-UHFFFAOYSA-N
MW374.36 g/mol
LogP3.42
Rot. Bonds4

About 2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride

2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride (PubChem CID 119842954) has the molecular formula C18H29Cl2N3O and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
PubChem CID119842954
Molecular FormulaC18H29Cl2N3O
Molecular Weight374.36 g/mol
Exact Mass373.17
IUPAC Name2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.O=C(CNc1ccccc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H27N3O.2ClH/c22-18(15-19-16-7-3-1-4-8-16)21-13-9-17(10-14-21)20-11-5-2-6-12-20;;/h1,3-4,7-8,17,19H,2,5-6,9-15H2;2*1H
InChIKeyQTCHERPQQDIVKI-UHFFFAOYSA-N
XLogP3.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[2-[4-(azepan-1-yl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
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2-anilino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 82695740
methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
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2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119843387

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride (CID 119842954) is 2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride is Cl.Cl.O=C(CNc1ccccc1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride?
The InChIKey is QTCHERPQQDIVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.2ClH/c22-18(15-19-16-7-3-1-4-8-16)21-13-9-17(10-14-21)20-11-5-2-6-12-20;;/h1,3-4,7-8,17,19H,2,5-6,9-15H2;2*1H.
What are the key properties of 2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride?
2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride has a molecular weight of 374.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 119842954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).