4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide

C16H25N3O — CID 110290716

IUPAC4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide
SMILESCC(C)(C)CN1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c1-16(2,3)13-18-9-11-19(12-10-18)15(20)17-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,17,20)
InChIKeyNXXCGDNVGAALKX-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.88
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide

4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 110290716) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide
PubChem CID110290716
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide
SMILESCC(C)(C)CN1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c1-16(2,3)13-18-9-11-19(12-10-18)15(20)17-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,17,20)
InChIKeyNXXCGDNVGAALKX-UHFFFAOYSA-N
XLogP2.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789
N-phenyl-4-prop-2-enylpiperazine-1-carboxamide
CID 23822231
N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
CID 108884847
4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252398
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149436
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
N-(4-aminophenyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 62967404
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
4-(1-adamantylmethyl)-N-phenylpiperazine-1-carboxamide
CID 4604031

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide (CID 110290716) is 4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide is CC(C)(C)CN1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is NXXCGDNVGAALKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,3)13-18-9-11-19(12-10-18)15(20)17-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,17,20).
What are the key properties of 4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide?
4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 110290716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).