2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride

C17H29ClN2O — CID 119374560

IUPAC2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
SMILESCl.NC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C17H28N2O.ClH/c18-15-1-3-19(4-2-15)16(20)11-17-8-12-5-13(9-17)7-14(6-12)10-17;/h12-15H,1-11,18H2;1H
InChIKeyUTHGJAJGJATBJU-UHFFFAOYSA-N
MW312.89 g/mol
LogP2.96
Rot. Bonds2

About 2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride

2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride (PubChem CID 119374560) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
PubChem CID119374560
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC Name2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
SMILESCl.NC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C17H28N2O.ClH/c18-15-1-3-19(4-2-15)16(20)11-17-8-12-5-13(9-17)7-14(6-12)10-17;/h12-15H,1-11,18H2;1H
InChIKeyUTHGJAJGJATBJU-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-1-[3-(aminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119484973
1-[2-(1-adamantyl)acetyl]piperidine-4-carbonitrile
CID 49064669
2-(1-adamantyl)-1-[4-(2-aminoethyl)piperazin-1-yl]ethanone
CID 127110191
2-(1-adamantyl)-1-[3-(2-bromoethyl)pyrrolidin-1-yl]ethanone
CID 114801488
1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride
CID 110204181
1-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]pentane-1,4-dione
CID 108534561
2-(1-adamantyl)-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
CID 108545367
1-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-4-chlorobutan-1-one
CID 108568029
2-(1-adamantyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115966017
2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 131106028
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 108564229
1-[4-[2-(1-adamantyl)acetyl]-1,4-diazepan-1-yl]pentane-1,4-dione
CID 108545396

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride (CID 119374560) is 2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride is Cl.NC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is UTHGJAJGJATBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c18-15-1-3-19(4-2-15)16(20)11-17-8-12-5-13(9-17)7-14(6-12)10-17;/h12-15H,1-11,18H2;1H.
What are the key properties of 2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride?
2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119374560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).