N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide

C16H28N2O3 — CID 97039142

IUPACN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESC[C@@H]1CN(CCCCNC(=O)C2=CCCCO2)C[C@H](C)O1
InChIInChI=1S/C16H28N2O3/c1-13-11-18(12-14(2)21-13)9-5-4-8-17-16(19)15-7-3-6-10-20-15/h7,13-14H,3-6,8-12H2,1-2H3,(H,17,19)/t13-,14+
InChIKeyHRCALQVMOAWVJK-OKILXGFUSA-N
MW296.41 g/mol
LogP1.69
Rot. Bonds6

About N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 97039142) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID97039142
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESC[C@@H]1CN(CCCCNC(=O)C2=CCCCO2)C[C@H](C)O1
InChIInChI=1S/C16H28N2O3/c1-13-11-18(12-14(2)21-13)9-5-4-8-17-16(19)15-7-3-6-10-20-15/h7,13-14H,3-6,8-12H2,1-2H3,(H,17,19)/t13-,14+
InChIKeyHRCALQVMOAWVJK-OKILXGFUSA-N
XLogP1.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one
CID 71984349
N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 86796498
(3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one
CID 97090915
[2-[(2-Methoxyethylamino)methyl]-2,3-dihydrofuran-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 70332282
ethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one
CID 142145699
(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one
CID 142145700
3,4-dihydro-2H-pyran-6-yl-(2,3-dimethylmorpholin-4-yl)methanone
CID 71915918
3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone
CID 71925558
4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-ethylpiperazin-2-one
CID 71926647
4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one
CID 71926656
3,4-dihydro-2H-pyran-6-yl-(2,5-dimethylmorpholin-4-yl)methanone
CID 71926677
3,4-dihydro-2H-pyran-6-yl-(2,6-dimethylmorpholin-4-yl)methanone
CID 71926687

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 97039142) is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide is C[C@@H]1CN(CCCCNC(=O)C2=CCCCO2)C[C@H](C)O1.
What is the InChIKey of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is HRCALQVMOAWVJK-OKILXGFUSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-13-11-18(12-14(2)21-13)9-5-4-8-17-16(19)15-7-3-6-10-20-15/h7,13-14H,3-6,8-12H2,1-2H3,(H,17,19)/t13-,14+.
What are the key properties of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 97039142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).