N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride

C21H34Cl3N3O2 — CID 119875170

IUPACN-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCC(c1cccc(Cl)c1)N1CCOCC1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C21H32ClN3O2.2ClH/c1-16(17-5-7-23-8-6-17)13-21(26)24-15-20(25-9-11-27-12-10-25)18-3-2-4-19(22)14-18;;/h2-4,14,16-17,20,23H,5-13,15H2,1H3,(H,24,26);2*1H
InChIKeyQSAXCOXZMDPEMH-UHFFFAOYSA-N
MW466.88 g/mol
LogP3.70
Rot. Bonds7

About N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride

N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119875170) has the molecular formula C21H34Cl3N3O2 and a molecular weight of 466.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119875170
Molecular FormulaC21H34Cl3N3O2
Molecular Weight466.88 g/mol
Exact Mass465.17
IUPAC NameN-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCC(c1cccc(Cl)c1)N1CCOCC1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C21H32ClN3O2.2ClH/c1-16(17-5-7-23-8-6-17)13-21(26)24-15-20(25-9-11-27-12-10-25)18-3-2-4-19(22)14-18;;/h2-4,14,16-17,20,23H,5-13,15H2,1H3,(H,24,26);2*1H
InChIKeyQSAXCOXZMDPEMH-UHFFFAOYSA-N
XLogP3.70
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.88
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119865999
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide
CID 119829974
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119875158
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide
CID 119866502
2-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(oxan-4-yl)acetamide
CID 120799806
7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride
CID 119875126
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea
CID 95315480
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]propan-2-amine
CID 58948569
N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-4-ylbutanamide
CID 119869028
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119849719

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119875170) is N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride is CC(CC(=O)NCC(c1cccc(Cl)c1)N1CCOCC1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is QSAXCOXZMDPEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClN3O2.2ClH/c1-16(17-5-7-23-8-6-17)13-21(26)24-15-20(25-9-11-27-12-10-25)18-3-2-4-19(22)14-18;;/h2-4,14,16-17,20,23H,5-13,15H2,1H3,(H,24,26);2*1H.
What are the key properties of N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 466.88 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119875170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).