N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide

C21H34N4O2 — CID 113105948

IUPACN-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C21H34N4O2/c1-17(2)19-6-4-5-18(3)20(19)22-21(26)25-11-9-23(10-12-25)7-8-24-13-15-27-16-14-24/h4-6,17H,7-16H2,1-3H3,(H,22,26)
InChIKeyHVXUGHTVOGRBQD-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.60
Rot. Bonds5

About N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide

N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide (PubChem CID 113105948) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
PubChem CID113105948
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C21H34N4O2/c1-17(2)19-6-4-5-18(3)20(19)22-21(26)25-11-9-23(10-12-25)7-8-24-13-15-27-16-14-24/h4-6,17H,7-16H2,1-3H3,(H,22,26)
InChIKeyHVXUGHTVOGRBQD-UHFFFAOYSA-N
XLogP2.60
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113104956
N-(2-methyl-6-propan-2-ylphenyl)-3-morpholin-4-ylpropanamide
CID 47093071
4-[(4-methoxyphenyl)methyl]-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113108147
N-[2,6-di(propan-2-yl)phenyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105012
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide
CID 91838347
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182995
N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide
CID 108988458
N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110798
N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104947
3-methyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47195287
N-(2-methyl-6-propan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159393230

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide (CID 113105948) is N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide is Cc1cccc(C(C)C)c1NC(=O)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The InChIKey is HVXUGHTVOGRBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-17(2)19-6-4-5-18(3)20(19)22-21(26)25-11-9-23(10-12-25)7-8-24-13-15-27-16-14-24/h4-6,17H,7-16H2,1-3H3,(H,22,26).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).