4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide

C18H27ClN4O2 — CID 113106058

IUPAC4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
SMILESCc1cc(Cl)ccc1N1CCN(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C18H27ClN4O2/c1-15-14-16(19)2-3-17(15)22-6-8-23(9-7-22)18(24)20-4-5-21-10-12-25-13-11-21/h2-3,14H,4-13H2,1H3,(H,20,24)
InChIKeyWSBLQFBXDQMFDQ-UHFFFAOYSA-N
MW366.89 g/mol
LogP1.81
Rot. Bonds4

About 4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide

4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide (PubChem CID 113106058) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
PubChem CID113106058
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
SMILESCc1cc(Cl)ccc1N1CCN(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C18H27ClN4O2/c1-15-14-16(19)2-3-17(15)22-6-8-23(9-7-22)18(24)20-4-5-21-10-12-25-13-11-21/h2-3,14H,4-13H2,1H3,(H,20,24)
InChIKeyWSBLQFBXDQMFDQ-UHFFFAOYSA-N
XLogP1.81
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113106095
N-(2-morpholin-4-ylethyl)-4-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113106083
4-(5-chloro-2-methylphenyl)-N'-methyl-N-(4-morpholin-4-ylbutyl)piperazine-1-carboximidamide
CID 111264281
4-(5-chloro-2-methylphenyl)-N'-methyl-N-(4-morpholin-4-ylbutyl)piperazine-1-carboximidamide;hydroiodide
CID 111264280
4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107485
4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 3148041
2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2931257
N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 113108277
4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide
CID 4518994
N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518449
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 108984345

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide (CID 113106058) is 4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide is Cc1cc(Cl)ccc1N1CCN(C(=O)NCCN2CCOCC2)CC1.
What is the InChIKey of 4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The InChIKey is WSBLQFBXDQMFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O2/c1-15-14-16(19)2-3-17(15)22-6-8-23(9-7-22)18(24)20-4-5-21-10-12-25-13-11-21/h2-3,14H,4-13H2,1H3,(H,20,24).
What are the key properties of 4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide has a molecular weight of 366.89 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113106058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).