N-tert-butyl-3,5-dimethyl-4-phenylpiperazine-1-carboxamide

C17H27N3O — CID 110662572

IUPACN-tert-butyl-3,5-dimethyl-4-phenylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)NC(C)(C)C)CC(C)N1c1ccccc1
InChIInChI=1S/C17H27N3O/c1-13-11-19(16(21)18-17(3,4)5)12-14(2)20(13)15-9-7-6-8-10-15/h6-10,13-14H,11-12H2,1-5H3,(H,18,21)
InChIKeyJEKITQOSCPGXPK-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.09
Rot. Bonds1

About N-tert-butyl-3,5-dimethyl-4-phenylpiperazine-1-carboxamide

N-tert-butyl-3,5-dimethyl-4-phenylpiperazine-1-carboxamide (PubChem CID 110662572) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-tert-butyl-3,5-dimethyl-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3,5-dimethyl-4-phenylpiperazine-1-carboxamide
PubChem CID110662572
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-tert-butyl-3,5-dimethyl-4-phenylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)NC(C)(C)C)CC(C)N1c1ccccc1
InChIInChI=1S/C17H27N3O/c1-13-11-19(16(21)18-17(3,4)5)12-14(2)20(13)15-9-7-6-8-10-15/h6-10,13-14H,11-12H2,1-5H3,(H,18,21)
InChIKeyJEKITQOSCPGXPK-UHFFFAOYSA-N
XLogP3.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone
CID 110413099
4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide
CID 70933120
(3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 110602244
2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide
CID 110746739
(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110662556
(3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone
CID 110602243
N-[3-(3,5-dimethyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 110662564
3-(benzenesulfonyl)-1-(3,5-dimethyl-4-phenylpiperazin-1-yl)propan-1-one
CID 110616578
phenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate
CID 110822461
N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 2942390
N-tert-butyl-2-(6-cyclopropylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 146077954
1-(3,5-dimethyl-4-phenylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 110602258

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,5-dimethyl-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-3,5-dimethyl-4-phenylpiperazine-1-carboxamide (CID 110662572) is N-tert-butyl-3,5-dimethyl-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3,5-dimethyl-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3,5-dimethyl-4-phenylpiperazine-1-carboxamide is CC1CN(C(=O)NC(C)(C)C)CC(C)N1c1ccccc1.
What is the InChIKey of N-tert-butyl-3,5-dimethyl-4-phenylpiperazine-1-carboxamide?
The InChIKey is JEKITQOSCPGXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-11-19(16(21)18-17(3,4)5)12-14(2)20(13)15-9-7-6-8-10-15/h6-10,13-14H,11-12H2,1-5H3,(H,18,21).
What are the key properties of N-tert-butyl-3,5-dimethyl-4-phenylpiperazine-1-carboxamide?
N-tert-butyl-3,5-dimethyl-4-phenylpiperazine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,5-dimethyl-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 110662572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).