N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide

C22H29N3O3 — CID 119847615

IUPACN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)CC(C)C3CCCNC3)cn2)c1
InChIInChI=1S/C22H29N3O3/c1-16(18-5-4-10-23-15-18)11-21(26)24-13-17-8-9-22(25-14-17)28-20-7-3-6-19(12-20)27-2/h3,6-9,12,14,16,18,23H,4-5,10-11,13,15H2,1-2H3,(H,24,26)
InChIKeyJXMOULWSQNTRDM-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.52
Rot. Bonds8

About N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide

N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide (PubChem CID 119847615) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide
PubChem CID119847615
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)CC(C)C3CCCNC3)cn2)c1
InChIInChI=1S/C22H29N3O3/c1-16(18-5-4-10-23-15-18)11-21(26)24-13-17-8-9-22(25-14-17)28-20-7-3-6-19(12-20)27-2/h3,6-9,12,14,16,18,23H,4-5,10-11,13,15H2,1-2H3,(H,24,26)
InChIKeyJXMOULWSQNTRDM-UHFFFAOYSA-N
XLogP3.52
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847592
3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
CID 119399577
N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119703187
3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703515
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119846231
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714575
N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712153
1-[(2S)-1-hydroxypropan-2-yl]-3-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]urea
CID 94055158
N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 81049427
N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 55857997
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797996
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide (CID 119847615) is N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide is COc1cccc(Oc2ccc(CNC(=O)CC(C)C3CCCNC3)cn2)c1.
What is the InChIKey of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide?
The InChIKey is JXMOULWSQNTRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-16(18-5-4-10-23-15-18)11-21(26)24-13-17-8-9-22(25-14-17)28-20-7-3-6-19(12-20)27-2/h3,6-9,12,14,16,18,23H,4-5,10-11,13,15H2,1-2H3,(H,24,26).
What are the key properties of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide?
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide has a molecular weight of 383.49 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119847615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).