(1-methylpiperidin-3-yl)-morpholin-4-ylmethanone;1-(1-methylpiperidin-3-yl)propan-1-one;N,N,1-trimethylazepane-3-carboxamide

C30H57N5O4 — CID 142206614

IUPAC(1-methylpiperidin-3-yl)-morpholin-4-ylmethanone;1-(1-methylpiperidin-3-yl)propan-1-one;N,N,1-trimethylazepane-3-carboxamide
SMILESCCC(=O)C1CCCN(C)C1.CN1CCCC(C(=O)N2CCOCC2)C1.CN1CCCCC(C(=O)N(C)C)C1
InChIInChI=1S/C11H20N2O2.C10H20N2O.C9H17NO/c1-12-4-2-3-10(9-12)11(14)13-5-7-15-8-6-13;1-11(2)10(13)9-6-4-5-7-12(3)8-9;1-3-9(11)8-5-4-6-10(2)7-8/h10H,2-9H2,1H3;9H,4-8H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyIILIBCQEVGNSLE-UHFFFAOYSA-N
MW551.82 g/mol
LogP2.30
Rot. Bonds4

About (1-methylpiperidin-3-yl)-morpholin-4-ylmethanone;1-(1-methylpiperidin-3-yl)propan-1-one;N,N,1-trimethylazepane-3-carboxamide

(1-methylpiperidin-3-yl)-morpholin-4-ylmethanone;1-(1-methylpiperidin-3-yl)propan-1-one;N,N,1-trimethylazepane-3-carboxamide (PubChem CID 142206614) has the molecular formula C30H57N5O4 and a molecular weight of 551.82 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl)-morpholin-4-ylmethanone;1-(1-methylpiperidin-3-yl)propan-1-one;N,N,1-trimethylazepane-3-carboxamide.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl)-morpholin-4-ylmethanone;1-(1-methylpiperidin-3-yl)propan-1-one;N,N,1-trimethylazepane-3-carboxamide
PubChem CID142206614
Molecular FormulaC30H57N5O4
Molecular Weight551.82 g/mol
Exact Mass551.44
IUPAC Name(1-methylpiperidin-3-yl)-morpholin-4-ylmethanone;1-(1-methylpiperidin-3-yl)propan-1-one;N,N,1-trimethylazepane-3-carboxamide
SMILESCCC(=O)C1CCCN(C)C1.CN1CCCC(C(=O)N2CCOCC2)C1.CN1CCCCC(C(=O)N(C)C)C1
InChIInChI=1S/C11H20N2O2.C10H20N2O.C9H17NO/c1-12-4-2-3-10(9-12)11(14)13-5-7-15-8-6-13;1-11(2)10(13)9-6-4-5-7-12(3)8-9;1-3-9(11)8-5-4-6-10(2)7-8/h10H,2-9H2,1H3;9H,4-8H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyIILIBCQEVGNSLE-UHFFFAOYSA-N
XLogP2.30
TPSA76.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.82
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1-methylpiperidin-3-yl)-morpholin-4-ylmethanone;1-(1-methylpiperidin-3-yl)propan-1-one;N,N,1-trimethylazepane-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 96635007
[(3R)-1-decylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 125473797
N,N-dimethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 96582337
ethyl 4-[(3S)-1-methylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 96588659
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylpiperidin-3-yl)methanone
CID 110853599
(4-aminopiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129493268
(4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129373940
(4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 121184137
1-(1-methylpiperidin-3-yl)-2-sulfanylethanone
CID 116829941
1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide
CID 111487608
[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 78834727

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl)-morpholin-4-ylmethanone;1-(1-methylpiperidin-3-yl)propan-1-one;N,N,1-trimethylazepane-3-carboxamide?
The IUPAC name of (1-methylpiperidin-3-yl)-morpholin-4-ylmethanone;1-(1-methylpiperidin-3-yl)propan-1-one;N,N,1-trimethylazepane-3-carboxamide (CID 142206614) is (1-methylpiperidin-3-yl)-morpholin-4-ylmethanone;1-(1-methylpiperidin-3-yl)propan-1-one;N,N,1-trimethylazepane-3-carboxamide.
What is the SMILES notation for (1-methylpiperidin-3-yl)-morpholin-4-ylmethanone;1-(1-methylpiperidin-3-yl)propan-1-one;N,N,1-trimethylazepane-3-carboxamide?
The canonical SMILES for (1-methylpiperidin-3-yl)-morpholin-4-ylmethanone;1-(1-methylpiperidin-3-yl)propan-1-one;N,N,1-trimethylazepane-3-carboxamide is CCC(=O)C1CCCN(C)C1.CN1CCCC(C(=O)N2CCOCC2)C1.CN1CCCCC(C(=O)N(C)C)C1.
What is the InChIKey of (1-methylpiperidin-3-yl)-morpholin-4-ylmethanone;1-(1-methylpiperidin-3-yl)propan-1-one;N,N,1-trimethylazepane-3-carboxamide?
The InChIKey is IILIBCQEVGNSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.C10H20N2O.C9H17NO/c1-12-4-2-3-10(9-12)11(14)13-5-7-15-8-6-13;1-11(2)10(13)9-6-4-5-7-12(3)8-9;1-3-9(11)8-5-4-6-10(2)7-8/h10H,2-9H2,1H3;9H,4-8H2,1-3H3;8H,3-7H2,1-2H3.
What are the key properties of (1-methylpiperidin-3-yl)-morpholin-4-ylmethanone;1-(1-methylpiperidin-3-yl)propan-1-one;N,N,1-trimethylazepane-3-carboxamide?
(1-methylpiperidin-3-yl)-morpholin-4-ylmethanone;1-(1-methylpiperidin-3-yl)propan-1-one;N,N,1-trimethylazepane-3-carboxamide has a molecular weight of 551.82 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl)-morpholin-4-ylmethanone;1-(1-methylpiperidin-3-yl)propan-1-one;N,N,1-trimethylazepane-3-carboxamide is sourced from PubChem (CID 142206614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).