N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide

C22H33N3O3 — CID 131900813

IUPACN-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccccc1CCC(=O)N1CCCC(CNC(=O)CN2CCCC2)C1
InChIInChI=1S/C22H33N3O3/c1-28-20-9-3-2-8-19(20)10-11-22(27)25-14-6-7-18(16-25)15-23-21(26)17-24-12-4-5-13-24/h2-3,8-9,18H,4-7,10-17H2,1H3,(H,23,26)
InChIKeyPJPLZGKRQQVKQS-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.08
Rot. Bonds8

About N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide

N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 131900813) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
PubChem CID131900813
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccccc1CCC(=O)N1CCCC(CNC(=O)CN2CCCC2)C1
InChIInChI=1S/C22H33N3O3/c1-28-20-9-3-2-8-19(20)10-11-22(27)25-14-6-7-18(16-25)15-23-21(26)17-24-12-4-5-13-24/h2-3,8-9,18H,4-7,10-17H2,1H3,(H,23,26)
InChIKeyPJPLZGKRQQVKQS-UHFFFAOYSA-N
XLogP2.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30672521
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
1-[[1-[3-(2-ethoxyphenyl)propanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 51134750
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
3-(2-ethoxyphenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43403578
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 45236759
3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one
CID 110739649
N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903458
methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754699
3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124685255

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide (CID 131900813) is N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide is COc1ccccc1CCC(=O)N1CCCC(CNC(=O)CN2CCCC2)C1.
What is the InChIKey of N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is PJPLZGKRQQVKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-28-20-9-3-2-8-19(20)10-11-22(27)25-14-6-7-18(16-25)15-23-21(26)17-24-12-4-5-13-24/h2-3,8-9,18H,4-7,10-17H2,1H3,(H,23,26).
What are the key properties of N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide?
N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 387.52 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 131900813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).