2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide

C23H37N3O2 — CID 120890321

IUPAC2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
SMILESCOCC1(CNC(=O)C(C)N2CCC(Cc3ccccc3)CC2)CCNCC1
InChIInChI=1S/C23H37N3O2/c1-19(22(27)25-17-23(18-28-2)10-12-24-13-11-23)26-14-8-21(9-15-26)16-20-6-4-3-5-7-20/h3-7,19,21,24H,8-18H2,1-2H3,(H,25,27)
InChIKeyISWHCKZHEGLICE-UHFFFAOYSA-N
MW387.57 g/mol
LogP2.46
Rot. Bonds8

About 2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide

2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide (PubChem CID 120890321) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
PubChem CID120890321
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
SMILESCOCC1(CNC(=O)C(C)N2CCC(Cc3ccccc3)CC2)CCNCC1
InChIInChI=1S/C23H37N3O2/c1-19(22(27)25-17-23(18-28-2)10-12-24-13-11-23)26-14-8-21(9-15-26)16-20-6-4-3-5-7-20/h3-7,19,21,24H,8-18H2,1-2H3,(H,25,27)
InChIKeyISWHCKZHEGLICE-UHFFFAOYSA-N
XLogP2.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylmethoxypropanamide
CID 120890807
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119383721
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 120889053
2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride
CID 119535685
2-(2-benzylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891722
2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119502046
2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120949029
(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9430598
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890613
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,3-diphenylpropanamide
CID 120888993

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide (CID 120890321) is 2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide is COCC1(CNC(=O)C(C)N2CCC(Cc3ccccc3)CC2)CCNCC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is ISWHCKZHEGLICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-19(22(27)25-17-23(18-28-2)10-12-24-13-11-23)26-14-8-21(9-15-26)16-20-6-4-3-5-7-20/h3-7,19,21,24H,8-18H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 387.57 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 120890321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).