4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide

C25H31ClN4O3 — CID 60588238

IUPAC4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCC1CN(C(=O)c2ccc(CNC(=O)N3CCN(c4ccccc4Cl)CC3)cc2)CC(C)O1
InChIInChI=1S/C25H31ClN4O3/c1-18-16-30(17-19(2)33-18)24(31)21-9-7-20(8-10-21)15-27-25(32)29-13-11-28(12-14-29)23-6-4-3-5-22(23)26/h3-10,18-19H,11-17H2,1-2H3,(H,27,32)
InChIKeyNBVDBLUWACNXPM-UHFFFAOYSA-N
MW471.00 g/mol
LogP3.62
Rot. Bonds4

About 4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide

4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 60588238) has the molecular formula C25H31ClN4O3 and a molecular weight of 471.00 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID60588238
Molecular FormulaC25H31ClN4O3
Molecular Weight471.00 g/mol
Exact Mass470.21
IUPAC Name4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCC1CN(C(=O)c2ccc(CNC(=O)N3CCN(c4ccccc4Cl)CC3)cc2)CC(C)O1
InChIInChI=1S/C25H31ClN4O3/c1-18-16-30(17-19(2)33-18)24(31)21-9-7-20(8-10-21)15-27-25(32)29-13-11-28(12-14-29)23-6-4-3-5-22(23)26/h3-10,18-19H,11-17H2,1-2H3,(H,27,32)
InChIKeyNBVDBLUWACNXPM-UHFFFAOYSA-N
XLogP3.62
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.00
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111174037
N-[(4-chlorophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108899201
4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide
CID 27537986
1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea
CID 95225967
4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide
CID 134006291
1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea
CID 95678855
1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-[(2-ethylphenyl)methyl]-2-methylguanidine
CID 111636025
4-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107696
3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 146081496
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 87003296
[4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea
CID 47914258
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210928

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide (CID 60588238) is 4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide is CC1CN(C(=O)c2ccc(CNC(=O)N3CCN(c4ccccc4Cl)CC3)cc2)CC(C)O1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is NBVDBLUWACNXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O3/c1-18-16-30(17-19(2)33-18)24(31)21-9-7-20(8-10-21)15-27-25(32)29-13-11-28(12-14-29)23-6-4-3-5-22(23)26/h3-10,18-19H,11-17H2,1-2H3,(H,27,32).
What are the key properties of 4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide?
4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 471.00 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 60588238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).