N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide

C18H35N3O3 — CID 118052241

IUPACN-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide
SMILESCC1CCN(CC(=O)N(CC(C)(CO)CO)C2CCNCC2)CC1
InChIInChI=1S/C18H35N3O3/c1-15-5-9-20(10-6-15)11-17(24)21(12-18(2,13-22)14-23)16-3-7-19-8-4-16/h15-16,19,22-23H,3-14H2,1-2H3
InChIKeyWZDBOZUXTRUAPS-UHFFFAOYSA-N
MW341.50 g/mol
LogP0.29
Rot. Bonds7

About N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide

N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide (PubChem CID 118052241) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide
PubChem CID118052241
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC NameN-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide
SMILESCC1CCN(CC(=O)N(CC(C)(CO)CO)C2CCNCC2)CC1
InChIInChI=1S/C18H35N3O3/c1-15-5-9-20(10-6-15)11-17(24)21(12-18(2,13-22)14-23)16-3-7-19-8-4-16/h15-16,19,22-23H,3-14H2,1-2H3
InChIKeyWZDBOZUXTRUAPS-UHFFFAOYSA-N
XLogP0.29
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[[2-(4-methylpiperidin-1-yl)acetyl]-piperidin-4-ylamino]propanamide
CID 118052259
3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-piperidin-4-ylamino]-2-(4-methylpiperidin-1-yl)propanal
CID 134484646
N,N-dimethyl-2-(4-methylpiperidin-1-yl)acetamide;ethane
CID 145317125
N-cyclopentyl-N-ethyl-2-piperazin-1-ylacetamide
CID 43541539
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(4-iodopiperidin-1-yl)-N-piperidin-4-ylacetamide
CID 134484779
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 43348717
3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 43603425
2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128
ethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate
CID 54944312
3-methyl-1-(4-methylpiperidin-1-yl)butan-2-one
CID 23588199
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-piperazin-1-ylacetamide
CID 60945625
N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride
CID 119906882

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide?
The IUPAC name of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide (CID 118052241) is N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide.
What is the SMILES notation for N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide?
The canonical SMILES for N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide is CC1CCN(CC(=O)N(CC(C)(CO)CO)C2CCNCC2)CC1.
What is the InChIKey of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide?
The InChIKey is WZDBOZUXTRUAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3/c1-15-5-9-20(10-6-15)11-17(24)21(12-18(2,13-22)14-23)16-3-7-19-8-4-16/h15-16,19,22-23H,3-14H2,1-2H3.
What are the key properties of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide?
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide has a molecular weight of 341.50 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide is sourced from PubChem (CID 118052241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).