2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

C17H29ClN2O — CID 119562542

IUPAC2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-18-15-2-4-19(5-3-15)17(20)16-13-7-11-6-12(9-13)10-14(16)8-11;/h11-16,18H,2-10H2,1H3;1H
InChIKeyKFRNPEWZISEBSW-UHFFFAOYSA-N
MW312.89 g/mol
LogP2.69
Rot. Bonds2

About 2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119562542) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is 2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119562542
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC Name2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-18-15-2-4-19(5-3-15)17(20)16-13-7-11-6-12(9-13)10-14(16)8-11;/h11-16,18H,2-10H2,1H3;1H
InChIKeyKFRNPEWZISEBSW-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(adamantane-2-carbonyl)piperazin-1-yl]ethanone
CID 4786894
2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71683274
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
2-adamantyl-(3-chloro-4-methylpiperidin-1-yl)methanone
CID 102961323
2-adamantyl-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114683132
cyclopentyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60820118
2-bicyclo[1.1.1]pentanyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 118902075
2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81486334
2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid
CID 81099407
4-(methylamino)piperidine-1-carboxamide
CID 43754889
[4-(methylaminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
CID 119545418
[2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559905

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of 2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119562542) is 2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for 2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for 2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1.Cl.
What is the InChIKey of 2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is KFRNPEWZISEBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-18-15-2-4-19(5-3-15)17(20)16-13-7-11-6-12(9-13)10-14(16)8-11;/h11-16,18H,2-10H2,1H3;1H.
What are the key properties of 2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119562542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).