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

C19H37N3O2 — CID 111106202

IUPACN-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC1CCN(CC(O)CN2CCCC(CNC(=O)C(C)C)C2)CC1
InChIInChI=1S/C19H37N3O2/c1-15(2)19(24)20-11-17-5-4-8-22(12-17)14-18(23)13-21-9-6-16(3)7-10-21/h15-18,23H,4-14H2,1-3H3,(H,20,24)
InChIKeySMQKSYYEOLUQIS-UHFFFAOYSA-N
MW339.52 g/mol
LogP1.56
Rot. Bonds7

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

N-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 111106202) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is N-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide
PubChem CID111106202
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC NameN-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC1CCN(CC(O)CN2CCCC(CNC(=O)C(C)C)C2)CC1
InChIInChI=1S/C19H37N3O2/c1-15(2)19(24)20-11-17-5-4-8-22(12-17)14-18(23)13-21-9-6-16(3)7-10-21/h15-18,23H,4-14H2,1-3H3,(H,20,24)
InChIKeySMQKSYYEOLUQIS-UHFFFAOYSA-N
XLogP1.56
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 110922141
N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95291109
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
N-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 95624997
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide
CID 111106203
2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide
CID 95281336
N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 110008877
N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 97011282
[(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea
CID 94176749
N-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 129432725

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide (CID 111106202) is N-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide is CC1CCN(CC(O)CN2CCCC(CNC(=O)C(C)C)C2)CC1.
What is the InChIKey of N-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide?
The InChIKey is SMQKSYYEOLUQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-15(2)19(24)20-11-17-5-4-8-22(12-17)14-18(23)13-21-9-6-16(3)7-10-21/h15-18,23H,4-14H2,1-3H3,(H,20,24).
What are the key properties of N-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide?
N-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 339.52 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 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-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 111106202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).