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

C22H31N3O — CID 4604031

IUPAC4-(1-adamantylmethyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C22H31N3O/c26-21(23-20-4-2-1-3-5-20)25-8-6-24(7-9-25)16-22-13-17-10-18(14-22)12-19(11-17)15-22/h1-5,17-19H,6-16H2,(H,23,26)
InChIKeyBPLJAUVZCDBOCW-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.05
Rot. Bonds3

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

4-(1-adamantylmethyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 4604031) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-(1-adamantylmethyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-adamantylmethyl)-N-phenylpiperazine-1-carboxamide
PubChem CID4604031
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name4-(1-adamantylmethyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C22H31N3O/c26-21(23-20-4-2-1-3-5-20)25-8-6-24(7-9-25)16-22-13-17-10-18(14-22)12-19(11-17)15-22/h1-5,17-19H,6-16H2,(H,23,26)
InChIKeyBPLJAUVZCDBOCW-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-adamantylmethyl)-N-phenylpiperazine-1-carbothioamide
CID 4557681
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
N-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide
CID 8669555
N-phenyl-4-prop-2-enylpiperazine-1-carboxamide
CID 23822231
4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide
CID 110290716
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789
4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094262
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252398
4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide
CID 18093895
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantylmethyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(1-adamantylmethyl)-N-phenylpiperazine-1-carboxamide (CID 4604031) is 4-(1-adamantylmethyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1-adamantylmethyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1-adamantylmethyl)-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(CC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 4-(1-adamantylmethyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is BPLJAUVZCDBOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c26-21(23-20-4-2-1-3-5-20)25-8-6-24(7-9-25)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 4-(1-adamantylmethyl)-N-phenylpiperazine-1-carboxamide?
4-(1-adamantylmethyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 353.51 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylmethyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 4604031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).