4-(2-chlorophenyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboxamide

C20H31ClN4O2 — CID 52502865

IUPAC4-(2-chlorophenyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboxamide
SMILESCC(C)CN1CCO[C@H](CNC(=O)N2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C20H31ClN4O2/c1-16(2)14-23-11-12-27-17(15-23)13-22-20(26)25-9-7-24(8-10-25)19-6-4-3-5-18(19)21/h3-6,16-17H,7-15H2,1-2H3,(H,22,26)/t17-/m1/s1
InChIKeyULCDONSATCAQEK-QGZVFWFLSA-N
MW394.95 g/mol
LogP2.53
Rot. Bonds5

About 4-(2-chlorophenyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboxamide

4-(2-chlorophenyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboxamide (PubChem CID 52502865) has the molecular formula C20H31ClN4O2 and a molecular weight of 394.95 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboxamide
PubChem CID52502865
Molecular FormulaC20H31ClN4O2
Molecular Weight394.95 g/mol
Exact Mass394.21
IUPAC Name4-(2-chlorophenyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboxamide
SMILESCC(C)CN1CCO[C@H](CNC(=O)N2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C20H31ClN4O2/c1-16(2)14-23-11-12-27-17(15-23)13-22-20(26)25-9-7-24(8-10-25)19-6-4-3-5-18(19)21/h3-6,16-17H,7-15H2,1-2H3,(H,22,26)/t17-/m1/s1
InChIKeyULCDONSATCAQEK-QGZVFWFLSA-N
XLogP2.53
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-chlorophenyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide
CID 39483842
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
4-[2-(diethylamino)-2-oxoethyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 55768945
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 8511058
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24642400
(2S)-2-(furan-2-yl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 124778574
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501
4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642416
N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206612

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboxamide (CID 52502865) is 4-(2-chlorophenyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboxamide is CC(C)CN1CCO[C@H](CNC(=O)N2CCN(c3ccccc3Cl)CC2)C1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboxamide?
The InChIKey is ULCDONSATCAQEK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31ClN4O2/c1-16(2)14-23-11-12-27-17(15-23)13-22-20(26)25-9-7-24(8-10-25)19-6-4-3-5-18(19)21/h3-6,16-17H,7-15H2,1-2H3,(H,22,26)/t17-/m1/s1.
What are the key properties of 4-(2-chlorophenyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboxamide?
4-(2-chlorophenyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboxamide has a molecular weight of 394.95 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 52502865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).