(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C21H28N2O2 — CID 70786755

IUPAC(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCC1=C(c2ccccc2)C1C(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C21H28N2O2/c1-16-19(18-5-3-2-4-6-18)20(16)21(24)23-9-7-17(8-10-23)15-22-11-13-25-14-12-22/h2-6,17,20H,7-15H2,1H3
InChIKeyPPCIQLHGIRARCA-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.66
Rot. Bonds4

About (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 70786755) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID70786755
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCC1=C(c2ccccc2)C1C(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C21H28N2O2/c1-16-19(18-5-3-2-4-6-18)20(16)21(24)23-9-7-17(8-10-23)15-22-11-13-25-14-12-22/h2-6,17,20H,7-15H2,1H3
InChIKeyPPCIQLHGIRARCA-UHFFFAOYSA-N
XLogP2.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one
CID 110304853
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone
CID 96571349
(E)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one
CID 110304869
1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 55845373
N-methyl-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-phenylacetamide
CID 60503563
N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 20907522
1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 47042743
[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55844203
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
[5-(methoxymethyl)furan-2-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 78882361
2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 114328262

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 70786755) is (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is CC1=C(c2ccccc2)C1C(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is PPCIQLHGIRARCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16-19(18-5-3-2-4-6-18)20(16)21(24)23-9-7-17(8-10-23)15-22-11-13-25-14-12-22/h2-6,17,20H,7-15H2,1H3.
What are the key properties of (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 340.47 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70786755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).