N-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide

C23H33N3O — CID 19293511

IUPACN-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C23H33N3O/c1-17-2-4-18(5-3-17)16-25-6-8-26(9-7-25)22(27)24-23-13-19-10-20(14-23)12-21(11-19)15-23/h2-5,19-21H,6-16H2,1H3,(H,24,27)
InChIKeyUZSSXZVVQRULGF-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.79
Rot. Bonds3

About N-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide

N-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 19293511) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is N-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID19293511
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC NameN-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C23H33N3O/c1-17-2-4-18(5-3-17)16-25-6-8-26(9-7-25)22(27)24-23-13-19-10-20(14-23)12-21(11-19)15-23/h2-5,19-21H,6-16H2,1H3,(H,24,27)
InChIKeyUZSSXZVVQRULGF-UHFFFAOYSA-N
XLogP3.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17374929
N-(1-adamantyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 19293596
N-(1-adamantyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 19293590
N-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide
CID 41455586
2-chloro-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 19297280
N-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide
CID 108895998
4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104047
4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113107050
N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45019105
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020
1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19297267
N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6466682

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide (CID 19293511) is N-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide is Cc1ccc(CN2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1.
What is the InChIKey of N-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is UZSSXZVVQRULGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-17-2-4-18(5-3-17)16-25-6-8-26(9-7-25)22(27)24-23-13-19-10-20(14-23)12-21(11-19)15-23/h2-5,19-21H,6-16H2,1H3,(H,24,27).
What are the key properties of N-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
N-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 367.54 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 19293511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).