N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide

C17H25N3O2 — CID 113077668

IUPACN-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccccc1N1CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(2)22-16-6-4-3-5-15(16)19-9-11-20(12-10-19)17(21)18-14-7-8-14/h3-6,13-14H,7-12H2,1-2H3,(H,18,21)
InChIKeyZOCVQYZQKORORA-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.47
Rot. Bonds4

About N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide

N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 113077668) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID113077668
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccccc1N1CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(2)22-16-6-4-3-5-15(16)19-9-11-20(12-10-19)17(21)18-14-7-8-14/h3-6,13-14H,7-12H2,1-2H3,(H,18,21)
InChIKeyZOCVQYZQKORORA-UHFFFAOYSA-N
XLogP2.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077661
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103270
N-cyclopropyl-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 47127245
4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide
CID 113080857
N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide
CID 113080037
N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106309
N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113076124
N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113111475
N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113109204
N-[(3-methylphenyl)methyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106968
1-(3-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea
CID 71017736

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 113077668) is N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide is CC(C)Oc1ccccc1N1CCN(C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is ZOCVQYZQKORORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(2)22-16-6-4-3-5-15(16)19-9-11-20(12-10-19)17(21)18-14-7-8-14/h3-6,13-14H,7-12H2,1-2H3,(H,18,21).
What are the key properties of N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113077668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).