N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride

C22H31Cl2N3O3 — CID 119892786

IUPACN-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCOc1cccc(Oc2ncccc2CNC(=O)CC(C)C2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C22H29N3O3.2ClH/c1-16(17-8-11-23-12-9-17)13-21(26)25-15-18-5-4-10-24-22(18)28-20-7-3-6-19(14-20)27-2;;/h3-7,10,14,16-17,23H,8-9,11-13,15H2,1-2H3,(H,25,26);2*1H
InChIKeyZUTDXENAWJEAPX-UHFFFAOYSA-N
MW456.41 g/mol
LogP4.37
Rot. Bonds8

About N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride

N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119892786) has the molecular formula C22H31Cl2N3O3 and a molecular weight of 456.41 g/mol. Its IUPAC name is N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119892786
Molecular FormulaC22H31Cl2N3O3
Molecular Weight456.41 g/mol
Exact Mass455.17
IUPAC NameN-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCOc1cccc(Oc2ncccc2CNC(=O)CC(C)C2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C22H29N3O3.2ClH/c1-16(17-8-11-23-12-9-17)13-21(26)25-15-18-5-4-10-24-22(18)28-20-7-3-6-19(14-20)27-2;;/h3-7,10,14,16-17,23H,8-9,11-13,15H2,1-2H3,(H,25,26);2*1H
InChIKeyZUTDXENAWJEAPX-UHFFFAOYSA-N
XLogP4.37
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119797678
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119892797
N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 81049427
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119708893
(2S)-2-amino-N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119892776
3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride
CID 122084280
N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119714483
N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119739883
N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119784711
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119751165
3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119847133

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119892786) is N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride is COc1cccc(Oc2ncccc2CNC(=O)CC(C)C2CCNCC2)c1.Cl.Cl.
What is the InChIKey of N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is ZUTDXENAWJEAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3.2ClH/c1-16(17-8-11-23-12-9-17)13-21(26)25-15-18-5-4-10-24-22(18)28-20-7-3-6-19(14-20)27-2;;/h3-7,10,14,16-17,23H,8-9,11-13,15H2,1-2H3,(H,25,26);2*1H.
What are the key properties of N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 456.41 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119892786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).