N-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide

C22H31N3O — CID 8669555

IUPACN-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H31N3O/c26-21(25-8-6-24(7-9-25)20-4-2-1-3-5-20)23-16-22-13-17-10-18(14-22)12-19(11-17)15-22/h1-5,17-19H,6-16H2,(H,23,26)
InChIKeyIPKPYLUXNMCNEM-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.73
Rot. Bonds3

About N-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide

N-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide (PubChem CID 8669555) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide
PubChem CID8669555
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H31N3O/c26-21(25-8-6-24(7-9-25)20-4-2-1-3-5-20)23-16-22-13-17-10-18(14-22)12-19(11-17)15-22/h1-5,17-19H,6-16H2,(H,23,26)
InChIKeyIPKPYLUXNMCNEM-UHFFFAOYSA-N
XLogP3.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide
CID 124530236
ethyl 4-(1-adamantylmethylcarbamoyl)piperazine-1-carboxylate
CID 22110836
4-(1-adamantylmethyl)-N-phenylpiperazine-1-carboxamide
CID 4604031
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid
CID 61183899
(3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96543593
N-[(1-phenylcyclopropyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 30303440
N-[1-(1-adamantyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108509196
2-(1-adamantyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372321
(15R,16S)-16-(1-adamantylmethylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 10433426
N-(1-adamantylmethyl)-3-phenoxypropanamide
CID 26202952

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide (CID 8669555) is N-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is IPKPYLUXNMCNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c26-21(25-8-6-24(7-9-25)20-4-2-1-3-5-20)23-16-22-13-17-10-18(14-22)12-19(11-17)15-22/h1-5,17-19H,6-16H2,(H,23,26).
What are the key properties of N-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide?
N-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide has a molecular weight of 353.51 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 8669555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).