1-adamantyl(piperazin-1-yl)methanone;hydrochloride

C15H25ClN2O — CID 17233942

IUPAC1-adamantyl(piperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(N1CCNCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24N2O.ClH/c18-14(17-3-1-16-2-4-17)15-8-11-5-12(9-15)7-13(6-11)10-15;/h11-13,16H,1-10H2;1H
InChIKeyRDADYMRYTSZHLO-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.06
Rot. Bonds1

About 1-adamantyl(piperazin-1-yl)methanone;hydrochloride

1-adamantyl(piperazin-1-yl)methanone;hydrochloride (PubChem CID 17233942) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-adamantyl(piperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name1-adamantyl(piperazin-1-yl)methanone;hydrochloride
PubChem CID17233942
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name1-adamantyl(piperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(N1CCNCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24N2O.ClH/c18-14(17-3-1-16-2-4-17)15-8-11-5-12(9-15)7-13(6-11)10-15;/h11-13,16H,1-10H2;1H
InChIKeyRDADYMRYTSZHLO-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-adamantyl(1,4,7,10,13,16-hexaoxa-19-azacyclohenicos-19-yl)methanone
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2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1-adamantyl)methanone
CID 66212965
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-chloropropan-1-one
CID 108570242
methyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate
CID 110365670
(4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 7471137
[4-[(3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]piperazin-1-yl]-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 98129534
1,4-diazepan-1-yl-(3-phenyl-1-adamantyl)methanone
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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(piperazin-1-yl)methanone;hydrochloride?
The IUPAC name of 1-adamantyl(piperazin-1-yl)methanone;hydrochloride (CID 17233942) is 1-adamantyl(piperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for 1-adamantyl(piperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for 1-adamantyl(piperazin-1-yl)methanone;hydrochloride is Cl.O=C(N1CCNCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(piperazin-1-yl)methanone;hydrochloride?
The InChIKey is RDADYMRYTSZHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c18-14(17-3-1-16-2-4-17)15-8-11-5-12(9-15)7-13(6-11)10-15;/h11-13,16H,1-10H2;1H.
What are the key properties of 1-adamantyl(piperazin-1-yl)methanone;hydrochloride?
1-adamantyl(piperazin-1-yl)methanone;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(piperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 17233942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).