N-(1-adamantyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride

C21H31ClN4O — CID 120755899

IUPACN-(1-adamantyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccnc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H30N4O.ClH/c26-20(24-21-9-15-6-16(10-21)8-17(7-15)11-21)14-25-5-4-23-13-19(25)18-2-1-3-22-12-18;/h1-3,12,15-17,19,23H,4-11,13-14H2,(H,24,26);1H
InChIKeyCNDFVLGWPZAJLV-UHFFFAOYSA-N
MW390.96 g/mol
LogP2.53
Rot. Bonds4

About N-(1-adamantyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride

N-(1-adamantyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 120755899) has the molecular formula C21H31ClN4O and a molecular weight of 390.96 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID120755899
Molecular FormulaC21H31ClN4O
Molecular Weight390.96 g/mol
Exact Mass390.22
IUPAC NameN-(1-adamantyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccnc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H30N4O.ClH/c26-20(24-21-9-15-6-16(10-21)8-17(7-15)11-21)14-25-5-4-23-13-19(25)18-2-1-3-22-12-18;/h1-3,12,15-17,19,23H,4-11,13-14H2,(H,24,26);1H
InChIKeyCNDFVLGWPZAJLV-UHFFFAOYSA-N
XLogP2.53
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-adamantyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;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

N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
N-(cyclopropylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755106
N-(2,6-dimethylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755901
N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755361
N-(2,6-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755673
N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755903
N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754684
N-[(4-methylphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754234
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754481
N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120869682
N-(4-propan-2-ylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754746

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(1-adamantyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (CID 120755899) is N-(1-adamantyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-adamantyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(1-adamantyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is Cl.O=C(CN1CCNCC1c1cccnc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is CNDFVLGWPZAJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O.ClH/c26-20(24-21-9-15-6-16(10-21)8-17(7-15)11-21)14-25-5-4-23-13-19(25)18-2-1-3-22-12-18;/h1-3,12,15-17,19,23H,4-11,13-14H2,(H,24,26);1H.
What are the key properties of N-(1-adamantyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
N-(1-adamantyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 390.96 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 120755899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).