2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide

C20H31N3O2 — CID 120949029

IUPAC2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CNCC1O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c1-15(20(25)22-13-18-12-21-14-19(18)24)23-9-7-17(8-10-23)11-16-5-3-2-4-6-16/h2-6,15,17-19,21,24H,7-14H2,1H3,(H,22,25)
InChIKeyTZWQNDRVEXTTFI-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.03
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide

2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide (PubChem CID 120949029) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
PubChem CID120949029
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CNCC1O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c1-15(20(25)22-13-18-12-21-14-19(18)24)23-9-7-17(8-10-23)11-16-5-3-2-4-6-16/h2-6,15,17-19,21,24H,7-14H2,1H3,(H,22,25)
InChIKeyTZWQNDRVEXTTFI-UHFFFAOYSA-N
XLogP1.03
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119383721
2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride
CID 119535685
2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119502046
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9430598
2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890321
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide
CID 120948957
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide
CID 120948053
2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride
CID 119540343
2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120599103

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide (CID 120949029) is 2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide is CC(C(=O)NCC1CNCC1O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The InChIKey is TZWQNDRVEXTTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15(20(25)22-13-18-12-21-14-19(18)24)23-9-7-17(8-10-23)11-16-5-3-2-4-6-16/h2-6,15,17-19,21,24H,7-14H2,1H3,(H,22,25).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide has a molecular weight of 345.49 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 120949029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).