4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide

C18H30N4O — CID 113105696

IUPAC4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C18H30N4O/c1-15(2)16-7-5-6-8-17(16)19-18(23)22-13-11-21(12-14-22)10-9-20(3)4/h5-8,15H,9-14H2,1-4H3,(H,19,23)
InChIKeyWPCQQPXEGXKYON-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.52
Rot. Bonds5

About 4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide

4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 113105696) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID113105696
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C18H30N4O/c1-15(2)16-7-5-6-8-17(16)19-18(23)22-13-11-21(12-14-22)10-9-20(3)4/h5-8,15H,9-14H2,1-4H3,(H,19,23)
InChIKeyWPCQQPXEGXKYON-UHFFFAOYSA-N
XLogP2.52
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 108987988
N-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide
CID 3784138
4-[(E)-3-phenylprop-2-enyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 108990279
N-(2-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3684146
4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112333
3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109018344
2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8904308
2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone
CID 62890165
N-(2-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989738
N-[2,6-di(propan-2-yl)phenyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105012
N-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 91801800
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110877789

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide (CID 113105696) is 4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccccc1NC(=O)N1CCN(CCN(C)C)CC1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is WPCQQPXEGXKYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-15(2)16-7-5-6-8-17(16)19-18(23)22-13-11-21(12-14-22)10-9-20(3)4/h5-8,15H,9-14H2,1-4H3,(H,19,23).
What are the key properties of 4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 318.47 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).