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

C21H33N3O2 — CID 113110605

IUPACN-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccc(N2CCN(C(=O)NC3CCCCCC3)CC2)cc1
InChIInChI=1S/C21H33N3O2/c1-17(2)26-20-11-9-19(10-12-20)23-13-15-24(16-14-23)21(25)22-18-7-5-3-4-6-8-18/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,22,25)
InChIKeyMYYFLCJMGVQJHC-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.03
Rot. Bonds4

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

N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 113110605) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID113110605
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccc(N2CCN(C(=O)NC3CCCCCC3)CC2)cc1
InChIInChI=1S/C21H33N3O2/c1-17(2)26-20-11-9-19(10-12-20)23-13-15-24(16-14-23)21(25)22-18-7-5-3-4-6-8-18/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,22,25)
InChIKeyMYYFLCJMGVQJHC-UHFFFAOYSA-N
XLogP4.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide
CID 110813016
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate
CID 113104537
N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104357
N-(oxolan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113105588
4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide
CID 116653618
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103271
4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113951
1-[4-(1-cyclohexylethoxy)phenyl]piperidine
CID 154185560
N-cyclohexyl-4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carboxamide
CID 110749250

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 113110605) is N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is CC(C)Oc1ccc(N2CCN(C(=O)NC3CCCCCC3)CC2)cc1.
What is the InChIKey of N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is MYYFLCJMGVQJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-17(2)26-20-11-9-19(10-12-20)23-13-15-24(16-14-23)21(25)22-18-7-5-3-4-6-8-18/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,22,25).
What are the key properties of N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).