2-methyl-1-[4-(2-morpholin-4-ylbutylamino)piperidin-1-yl]propan-1-one

C17H33N3O2 — CID 50975339

IUPAC2-methyl-1-[4-(2-morpholin-4-ylbutylamino)piperidin-1-yl]propan-1-one
SMILESCCC(CNC1CCN(C(=O)C(C)C)CC1)N1CCOCC1
InChIInChI=1S/C17H33N3O2/c1-4-16(19-9-11-22-12-10-19)13-18-15-5-7-20(8-6-15)17(21)14(2)3/h14-16,18H,4-13H2,1-3H3
InChIKeyMDZDYVRCCIVNNV-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.33
Rot. Bonds6

About 2-methyl-1-[4-(2-morpholin-4-ylbutylamino)piperidin-1-yl]propan-1-one

2-methyl-1-[4-(2-morpholin-4-ylbutylamino)piperidin-1-yl]propan-1-one (PubChem CID 50975339) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-morpholin-4-ylbutylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2-morpholin-4-ylbutylamino)piperidin-1-yl]propan-1-one
PubChem CID50975339
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name2-methyl-1-[4-(2-morpholin-4-ylbutylamino)piperidin-1-yl]propan-1-one
SMILESCCC(CNC1CCN(C(=O)C(C)C)CC1)N1CCOCC1
InChIInChI=1S/C17H33N3O2/c1-4-16(19-9-11-22-12-10-19)13-18-15-5-7-20(8-6-15)17(21)14(2)3/h14-16,18H,4-13H2,1-3H3
InChIKeyMDZDYVRCCIVNNV-UHFFFAOYSA-N
XLogP1.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[3-(4-morpholinyl)propyl]acetamide
CID 24792050
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpropanamide
CID 53523431
2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[3-(4-morpholinyl)propyl]acetamide
CID 24791321
N-[1-(cyclohexylmethyl)-3-piperidinyl]-3-(4-morpholinyl)propanamide
CID 45205353
3-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53607179
N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 5157518
N1-((1-isopropylpiperidin-4-yl)methyl)-N2-(2-morpholinoethyl)oxalamide
CID 16886595
N1-((1-cyclopentylpiperidin-4-yl)methyl)-N2-(2-morpholinoethyl)oxalamide
CID 16886765
2-(4-Aminopiperidin-1-yl)-1-(morpholin-4-yl)ethan-1-one
CID 17609490
4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide
CID 134505558
2-Methyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
CID 58333431
N-(3-methyl-2-morpholin-4-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110402773

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-morpholin-4-ylbutylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(2-morpholin-4-ylbutylamino)piperidin-1-yl]propan-1-one (CID 50975339) is 2-methyl-1-[4-(2-morpholin-4-ylbutylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2-morpholin-4-ylbutylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2-morpholin-4-ylbutylamino)piperidin-1-yl]propan-1-one is CCC(CNC1CCN(C(=O)C(C)C)CC1)N1CCOCC1.
What is the InChIKey of 2-methyl-1-[4-(2-morpholin-4-ylbutylamino)piperidin-1-yl]propan-1-one?
The InChIKey is MDZDYVRCCIVNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-4-16(19-9-11-22-12-10-19)13-18-15-5-7-20(8-6-15)17(21)14(2)3/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(2-morpholin-4-ylbutylamino)piperidin-1-yl]propan-1-one?
2-methyl-1-[4-(2-morpholin-4-ylbutylamino)piperidin-1-yl]propan-1-one has a molecular weight of 311.47 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-morpholin-4-ylbutylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 50975339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).