N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide

C17H33N3O2 — CID 111106124

IUPACN-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(CC(O)CN2CCC(C)CC2)CC1
InChIInChI=1S/C17H33N3O2/c1-14-4-8-19(9-5-14)12-17(22)13-20-10-6-16(7-11-20)18(3)15(2)21/h14,16-17,22H,4-13H2,1-3H3
InChIKeyMHRBOLBNOPQXJP-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.02
Rot. Bonds5

About N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide

N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide (PubChem CID 111106124) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide
PubChem CID111106124
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(CC(O)CN2CCC(C)CC2)CC1
InChIInChI=1S/C17H33N3O2/c1-14-4-8-19(9-5-14)12-17(22)13-20-10-6-16(7-11-20)18(3)15(2)21/h14,16-17,22H,4-13H2,1-3H3
InChIKeyMHRBOLBNOPQXJP-UHFFFAOYSA-N
XLogP1.02
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
CID 155739583
N-[1-[3-(4-chlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
CID 49231615
tert-butyl (2R)-3-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-methylpropanoate
CID 124843336
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111105900
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide
CID 110910639
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327073
(2R)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327071
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide
CID 54290996
N-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
CID 110910642
1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111477005
N-(1-butylpiperidin-4-yl)-N-methylacetamide
CID 70802066
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide (CID 111106124) is N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(CC(O)CN2CCC(C)CC2)CC1.
What is the InChIKey of N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide?
The InChIKey is MHRBOLBNOPQXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-14-4-8-19(9-5-14)12-17(22)13-20-10-6-16(7-11-20)18(3)15(2)21/h14,16-17,22H,4-13H2,1-3H3.
What are the key properties of N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide?
N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide has a molecular weight of 311.47 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 111106124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).