N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride

C19H31Cl2N3O2 — CID 119860439

IUPACN-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride
SMILESCC1CCN(C(CNC(=O)C2COCCN2)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C19H29N3O2.2ClH/c1-15-7-10-22(11-8-15)18(16-5-3-2-4-6-16)13-21-19(23)17-14-24-12-9-20-17;;/h2-6,15,17-18,20H,7-14H2,1H3,(H,21,23);2*1H
InChIKeyKXVJVNSMGUYPSB-UHFFFAOYSA-N
MW404.38 g/mol
LogP2.41
Rot. Bonds5

About N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride

N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 119860439) has the molecular formula C19H31Cl2N3O2 and a molecular weight of 404.38 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride
PubChem CID119860439
Molecular FormulaC19H31Cl2N3O2
Molecular Weight404.38 g/mol
Exact Mass403.18
IUPAC NameN-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride
SMILESCC1CCN(C(CNC(=O)C2COCCN2)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C19H29N3O2.2ClH/c1-15-7-10-22(11-8-15)18(16-5-3-2-4-6-16)13-21-19(23)17-14-24-12-9-20-17;;/h2-6,15,17-18,20H,7-14H2,1H3,(H,21,23);2*1H
InChIKeyKXVJVNSMGUYPSB-UHFFFAOYSA-N
XLogP2.41
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride 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

N-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride
CID 119831374
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride
CID 119866459
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride
CID 119849807
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide
CID 119867123
(3R)-N-[(2S)-2,3-diphenylpropyl]morpholine-3-carboxamide
CID 124699410
N-(2-phenylsulfanylpropyl)morpholine-3-carboxamide;hydrochloride
CID 119804403
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914216
2-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-(oxan-4-yl)acetamide
CID 120798822
N-[(1S)-2-hydroxy-1-phenylethyl]morpholine-3-carboxamide
CID 107862923
(3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide
CID 16681349
N-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride
CID 119899958
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 119860442

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride (CID 119860439) is N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride is CC1CCN(C(CNC(=O)C2COCCN2)c2ccccc2)CC1.Cl.Cl.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is KXVJVNSMGUYPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.2ClH/c1-15-7-10-22(11-8-15)18(16-5-3-2-4-6-16)13-21-19(23)17-14-24-12-9-20-17;;/h2-6,15,17-18,20H,7-14H2,1H3,(H,21,23);2*1H.
What are the key properties of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride?
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 404.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119860439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).