2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]acetamide

C15H27N3O3 — CID 167763731

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]acetamide
SMILESCN1CC(CCNC(=O)CN2CCC(CO)CC2)CC1=O
InChIInChI=1S/C15H27N3O3/c1-17-9-13(8-15(17)21)2-5-16-14(20)10-18-6-3-12(11-19)4-7-18/h12-13,19H,2-11H2,1H3,(H,16,20)
InChIKeyIPGOTFLYVVDDIK-UHFFFAOYSA-N
MW297.40 g/mol
LogP-0.32
Rot. Bonds6

About 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]acetamide

2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]acetamide (PubChem CID 167763731) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]acetamide
PubChem CID167763731
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]acetamide
SMILESCN1CC(CCNC(=O)CN2CCC(CO)CC2)CC1=O
InChIInChI=1S/C15H27N3O3/c1-17-9-13(8-15(17)21)2-5-16-14(20)10-18-6-3-12(11-19)4-7-18/h12-13,19H,2-11H2,1H3,(H,16,20)
InChIKeyIPGOTFLYVVDDIK-UHFFFAOYSA-N
XLogP-0.32
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61207322
2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid
CID 122458449
N-[2-(4-chlorophenyl)ethyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 52602062
N-(3-cyclohexylpropyl)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 97080322
N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648230
N-(2-hydroxyethyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 43509640
2-[4-(hydroxymethyl)azepan-1-yl]acetohydrazide
CID 130906138
N-cyclohexyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968203
N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylcyclopropyl)propanamide
CID 122555981
2-(4-aminopiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 79332156
N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide
CID 54927931
N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847877

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]acetamide (CID 167763731) is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]acetamide is CN1CC(CCNC(=O)CN2CCC(CO)CC2)CC1=O.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]acetamide?
The InChIKey is IPGOTFLYVVDDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-17-9-13(8-15(17)21)2-5-16-14(20)10-18-6-3-12(11-19)4-7-18/h12-13,19H,2-11H2,1H3,(H,16,20).
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]acetamide?
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]acetamide has a molecular weight of 297.40 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 167763731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).