N-(2-adamantyl)-1-(cyclopentylmethyl)piperazine-2-carboxamide

C21H35N3O — CID 69335963

IUPACN-(2-adamantyl)-1-(cyclopentylmethyl)piperazine-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1CNCCN1CC1CCCC1
InChIInChI=1S/C21H35N3O/c25-21(19-12-22-5-6-24(19)13-14-3-1-2-4-14)23-20-17-8-15-7-16(10-17)11-18(20)9-15/h14-20,22H,1-13H2,(H,23,25)
InChIKeyIKINJNGGSMNXBO-UHFFFAOYSA-N
MW345.53 g/mol
LogP2.39
Rot. Bonds4

About N-(2-adamantyl)-1-(cyclopentylmethyl)piperazine-2-carboxamide

N-(2-adamantyl)-1-(cyclopentylmethyl)piperazine-2-carboxamide (PubChem CID 69335963) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is N-(2-adamantyl)-1-(cyclopentylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-(cyclopentylmethyl)piperazine-2-carboxamide
PubChem CID69335963
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC NameN-(2-adamantyl)-1-(cyclopentylmethyl)piperazine-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1CNCCN1CC1CCCC1
InChIInChI=1S/C21H35N3O/c25-21(19-12-22-5-6-24(19)13-14-3-1-2-4-14)23-20-17-8-15-7-16(10-17)11-18(20)9-15/h14-20,22H,1-13H2,(H,23,25)
InChIKeyIKINJNGGSMNXBO-UHFFFAOYSA-N
XLogP2.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-adamantyl)-1-(cyclopentylmethyl)piperazine-2-carboxamide 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

(2R)-N-(2-adamantyl)-1-[(2S)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 11645196
N-(2-adamantyl)-2-(azetidin-3-yl)acetamide
CID 64618558
(2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine;hydrochloride
CID 165128543
1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]prop-2-en-1-one
CID 175432939
methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate
CID 112581184
(2R)-N-cyclobutyl-1-methylpiperazine-2-carboxamide
CID 89103840
5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid
CID 102687991
1-methyl-N-(1-methylpiperidin-3-yl)piperazine-2-carboxamide
CID 115177737
1-(cyclopentylmethyl)-2-phenylpiperazine
CID 64832948
2-cyclohexyl-N-[(3S)-piperidin-3-yl]acetamide
CID 92664479
N-(2-adamantyl)thiomorpholine-3-carboxamide
CID 82909198
1-(cyclohexylmethyl)-2-(1-methylimidazol-2-yl)piperazine
CID 120871025

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-(cyclopentylmethyl)piperazine-2-carboxamide?
The IUPAC name of N-(2-adamantyl)-1-(cyclopentylmethyl)piperazine-2-carboxamide (CID 69335963) is N-(2-adamantyl)-1-(cyclopentylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1-(cyclopentylmethyl)piperazine-2-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1-(cyclopentylmethyl)piperazine-2-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)C1CNCCN1CC1CCCC1.
What is the InChIKey of N-(2-adamantyl)-1-(cyclopentylmethyl)piperazine-2-carboxamide?
The InChIKey is IKINJNGGSMNXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O/c25-21(19-12-22-5-6-24(19)13-14-3-1-2-4-14)23-20-17-8-15-7-16(10-17)11-18(20)9-15/h14-20,22H,1-13H2,(H,23,25).
What are the key properties of N-(2-adamantyl)-1-(cyclopentylmethyl)piperazine-2-carboxamide?
N-(2-adamantyl)-1-(cyclopentylmethyl)piperazine-2-carboxamide has a molecular weight of 345.53 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-(cyclopentylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 69335963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).