N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide

C15H21N3O3 — CID 112531754

IUPACN-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C(=O)N2CCC(CO)CC2)ccn1
InChIInChI=1S/C15H21N3O3/c1-11(20)17-9-14-8-13(2-5-16-14)15(21)18-6-3-12(10-19)4-7-18/h2,5,8,12,19H,3-4,6-7,9-10H2,1H3,(H,17,20)
InChIKeyACPHKSOFHCYMGN-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.56
Rot. Bonds4

About N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide

N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide (PubChem CID 112531754) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide
PubChem CID112531754
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C(=O)N2CCC(CO)CC2)ccn1
InChIInChI=1S/C15H21N3O3/c1-11(20)17-9-14-8-13(2-5-16-14)15(21)18-6-3-12(10-19)4-7-18/h2,5,8,12,19H,3-4,6-7,9-10H2,1H3,(H,17,20)
InChIKeyACPHKSOFHCYMGN-UHFFFAOYSA-N
XLogP0.56
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530487
N-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530383
N-[[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112531337
N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide
CID 103754890
2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325192
methyl N-[[4-(3-aminopyrrolidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112530810
N-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide
CID 112531128
2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 112530809
3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112531945
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112532256
[4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 55042246

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide (CID 112531754) is N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cc(C(=O)N2CCC(CO)CC2)ccn1.
What is the InChIKey of N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide?
The InChIKey is ACPHKSOFHCYMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(20)17-9-14-8-13(2-5-16-14)15(21)18-6-3-12(10-19)4-7-18/h2,5,8,12,19H,3-4,6-7,9-10H2,1H3,(H,17,20).
What are the key properties of N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide?
N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 112531754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).