[(3R)-5-(4-methylpent-1-enylidene)piperidin-3-yl]-morpholin-4-ylmethanone

C16H26N2O2 — CID 146770459

IUPAC[(3R)-5-(4-methylpent-1-enylidene)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)CC=C=C1CNC[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H26N2O2/c1-13(2)4-3-5-14-10-15(12-17-11-14)16(19)18-6-8-20-9-7-18/h3,13,15,17H,4,6-12H2,1-2H3/t5?,15-/m1/s1
InChIKeyRRNOKMHKABDVIN-KZXRREANSA-N
MW278.40 g/mol
LogP1.58
Rot. Bonds3

About [(3R)-5-(4-methylpent-1-enylidene)piperidin-3-yl]-morpholin-4-ylmethanone

[(3R)-5-(4-methylpent-1-enylidene)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 146770459) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [(3R)-5-(4-methylpent-1-enylidene)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-5-(4-methylpent-1-enylidene)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID146770459
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[(3R)-5-(4-methylpent-1-enylidene)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)CC=C=C1CNC[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H26N2O2/c1-13(2)4-3-5-14-10-15(12-17-11-14)16(19)18-6-8-20-9-7-18/h3,13,15,17H,4,6-12H2,1-2H3/t5?,15-/m1/s1
InChIKeyRRNOKMHKABDVIN-KZXRREANSA-N
XLogP1.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxo-3-piperidinecarboxamide
CID 45232069
(3R,5S)-N-isobutyl-5-(4-morpholinylmethyl)-3-piperidinecarboxamide
CID 56856773
[(3R,5S)-5-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 163985347
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 26330299
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 26330301
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 29255870
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 29255872
N-[2-(1-cyclohexen-1-yl)ethyl]-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 45204857
2,2-dimethyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]propanamide
CID 55537782
(3R,5S)-N,1-diisobutyl-5-(4-morpholinylmethyl)-3-piperidinecarboxamide
CID 56852422
(3R,5S)-N-butyl-5-(4-morpholinylmethyl)-3-piperidinecarboxamide
CID 56854283
(3R,5S)-N-butyl-1-isobutyl-5-(4-morpholinylmethyl)-3-piperidinecarboxamide
CID 56856924

Frequently Asked Questions

What is the IUPAC name of [(3R)-5-(4-methylpent-1-enylidene)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3R)-5-(4-methylpent-1-enylidene)piperidin-3-yl]-morpholin-4-ylmethanone (CID 146770459) is [(3R)-5-(4-methylpent-1-enylidene)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3R)-5-(4-methylpent-1-enylidene)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3R)-5-(4-methylpent-1-enylidene)piperidin-3-yl]-morpholin-4-ylmethanone is CC(C)CC=C=C1CNC[C@H](C(=O)N2CCOCC2)C1.
What is the InChIKey of [(3R)-5-(4-methylpent-1-enylidene)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is RRNOKMHKABDVIN-KZXRREANSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)4-3-5-14-10-15(12-17-11-14)16(19)18-6-8-20-9-7-18/h3,13,15,17H,4,6-12H2,1-2H3/t5?,15-/m1/s1.
What are the key properties of [(3R)-5-(4-methylpent-1-enylidene)piperidin-3-yl]-morpholin-4-ylmethanone?
[(3R)-5-(4-methylpent-1-enylidene)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 278.40 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5-(4-methylpent-1-enylidene)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 146770459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).