N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide

C17H33N3O2 — CID 119869012

IUPACN-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide
SMILESCC(CNC(=O)CC(C)C1CCCNC1)CN1CCOCC1
InChIInChI=1S/C17H33N3O2/c1-14(13-20-6-8-22-9-7-20)11-19-17(21)10-15(2)16-4-3-5-18-12-16/h14-16,18H,3-13H2,1-2H3,(H,19,21)
InChIKeyZKYASNJMAGZJTG-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.10
Rot. Bonds7

About N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide

N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide (PubChem CID 119869012) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide
PubChem CID119869012
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide
SMILESCC(CNC(=O)CC(C)C1CCCNC1)CN1CCOCC1
InChIInChI=1S/C17H33N3O2/c1-14(13-20-6-8-22-9-7-20)11-19-17(21)10-15(2)16-4-3-5-18-12-16/h14-16,18H,3-13H2,1-2H3,(H,19,21)
InChIKeyZKYASNJMAGZJTG-UHFFFAOYSA-N
XLogP1.10
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-morpholin-4-ylpropan-2-yl)-3-piperidin-3-ylbutanamide
CID 81048258
N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-4-ylbutanamide
CID 119869028
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide
CID 81043564
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119827786
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 110462388
N-(2-methyl-2-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide
CID 119830210
N-(2-methyl-3-pyrazol-1-ylpropyl)-3-piperidin-3-ylbutanamide
CID 119734124
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119847367
tert-butyl 4-[(2R)-4-[[(2R)-2-methyl-3-morpholin-4-ylpropyl]amino]-4-oxobutan-2-yl]piperidine-1-carboxylate
CID 124886925
N-[2-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-3-ylbutanamide;trihydrochloride
CID 119901725
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700669

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide (CID 119869012) is N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide is CC(CNC(=O)CC(C)C1CCCNC1)CN1CCOCC1.
What is the InChIKey of N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide?
The InChIKey is ZKYASNJMAGZJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-14(13-20-6-8-22-9-7-20)11-19-17(21)10-15(2)16-4-3-5-18-12-16/h14-16,18H,3-13H2,1-2H3,(H,19,21).
What are the key properties of N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide?
N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide has a molecular weight of 311.47 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119869012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).