3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one

C20H29N3O3 — CID 119687542

IUPAC3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESCC(C(=O)N1CCC(C(=O)N2CCOCC2)CC1)C(N)c1ccccc1
InChIInChI=1S/C20H29N3O3/c1-15(18(21)16-5-3-2-4-6-16)19(24)22-9-7-17(8-10-22)20(25)23-11-13-26-14-12-23/h2-6,15,17-18H,7-14,21H2,1H3
InChIKeyRJCQJAMSCMCQFR-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.42
Rot. Bonds4

About 3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one

3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 119687542) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID119687542
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESCC(C(=O)N1CCC(C(=O)N2CCOCC2)CC1)C(N)c1ccccc1
InChIInChI=1S/C20H29N3O3/c1-15(18(21)16-5-3-2-4-6-16)19(24)22-9-7-17(8-10-22)20(25)23-11-13-26-14-12-23/h2-6,15,17-18H,7-14,21H2,1H3
InChIKeyRJCQJAMSCMCQFR-UHFFFAOYSA-N
XLogP1.42
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-amino-1-(azocan-1-yl)-2-methyl-3-phenylpropan-1-one
CID 99627539
3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119840042
4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one
CID 110620002
2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 120666722
2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119297409
3-amino-2-methyl-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119897518
3-amino-2-methyl-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-3-phenylpropan-1-one
CID 119779820
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119683429
2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 72849565
3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119898947
2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002906

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one (CID 119687542) is 3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one is CC(C(=O)N1CCC(C(=O)N2CCOCC2)CC1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is RJCQJAMSCMCQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15(18(21)16-5-3-2-4-6-16)19(24)22-9-7-17(8-10-22)20(25)23-11-13-26-14-12-23/h2-6,15,17-18H,7-14,21H2,1H3.
What are the key properties of 3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one?
3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 359.47 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 119687542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).