N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride

C19H31Cl2N3O2 — CID 119834762

IUPACN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCNCC1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C19H29N3O2.2ClH/c23-19(13-16-5-7-20-8-6-16)21-14-17-3-1-2-4-18(17)15-22-9-11-24-12-10-22;;/h1-4,16,20H,5-15H2,(H,21,23);2*1H
InChIKeyUBNLVCLZVSMLBM-UHFFFAOYSA-N
MW404.38 g/mol
LogP2.37
Rot. Bonds6

About N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride (PubChem CID 119834762) has the molecular formula C19H31Cl2N3O2 and a molecular weight of 404.38 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride
PubChem CID119834762
Molecular FormulaC19H31Cl2N3O2
Molecular Weight404.38 g/mol
Exact Mass403.18
IUPAC NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCNCC1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C19H29N3O2.2ClH/c23-19(13-16-5-7-20-8-6-16)21-14-17-3-1-2-4-18(17)15-22-9-11-24-12-10-22;;/h1-4,16,20H,5-15H2,(H,21,23);2*1H
InChIKeyUBNLVCLZVSMLBM-UHFFFAOYSA-N
XLogP2.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 71980057
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
CID 60503666
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride
CID 119834742
2,2-dimethyl-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]propanamide
CID 31444039
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylsulfanylpropanamide
CID 9481241
N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481147
2-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 60668732
1-(1-cyclopropylethyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 134001880
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119869680
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119869671

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride (CID 119834762) is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CCNCC1)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride?
The InChIKey is UBNLVCLZVSMLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.2ClH/c23-19(13-16-5-7-20-8-6-16)21-14-17-3-1-2-4-18(17)15-22-9-11-24-12-10-22;;/h1-4,16,20H,5-15H2,(H,21,23);2*1H.
What are the key properties of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride?
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride has a molecular weight of 404.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride is sourced from PubChem (CID 119834762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).