N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide

C16H23N3O — CID 113075647

IUPACN-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)cc(N2CCN(C(=O)NC3CC3)CC2)c1
InChIInChI=1S/C16H23N3O/c1-12-9-13(2)11-15(10-12)18-5-7-19(8-6-18)16(20)17-14-3-4-14/h9-11,14H,3-8H2,1-2H3,(H,17,20)
InChIKeyNSHOWZLXFBZTDU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.30
Rot. Bonds2

About N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide

N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 113075647) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
PubChem CID113075647
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)cc(N2CCN(C(=O)NC3CC3)CC2)c1
InChIInChI=1S/C16H23N3O/c1-12-9-13(2)11-15(10-12)18-5-7-19(8-6-18)16(20)17-14-3-4-14/h9-11,14H,3-8H2,1-2H3,(H,17,20)
InChIKeyNSHOWZLXFBZTDU-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113075398
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113081399
4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104516
N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111755
4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide
CID 116653618
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113075589
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113111781
N-cyclopropyl-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 47127245

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide (CID 113075647) is N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide is Cc1cc(C)cc(N2CCN(C(=O)NC3CC3)CC2)c1.
What is the InChIKey of N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is NSHOWZLXFBZTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-9-13(2)11-15(10-12)18-5-7-19(8-6-18)16(20)17-14-3-4-14/h9-11,14H,3-8H2,1-2H3,(H,17,20).
What are the key properties of N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113075647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).