2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate

C24H29NO2 — CID 10138983

IUPAC2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate
SMILESCC(C)COC(=O)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H29NO2/c1-19(2)18-27-23(26)17-25-15-13-22(14-16-25)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19H,13-18H2,1-2H3
InChIKeyIMFCVGCQSKJRHS-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.78
Rot. Bonds6

About 2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate

2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate (PubChem CID 10138983) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate
PubChem CID10138983
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate
SMILESCC(C)COC(=O)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H29NO2/c1-19(2)18-27-23(26)17-25-15-13-22(14-16-25)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19H,13-18H2,1-2H3
InChIKeyIMFCVGCQSKJRHS-UHFFFAOYSA-N
XLogP4.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide
CID 58820394
2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone
CID 110183664
4-benzhydrylidene-1-ethylpiperidine
CID 19370284
oxalic acid;oxan-4-yl 2-(4-benzhydrylidenepiperidin-1-yl)acetate
CID 10184383
4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one
CID 59641773
2-methylpropyl 3-benzoyl-4-methylpentanoate
CID 91536280
4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine
CID 46172910
2-methylpropyl 1-benzoylpiperidine-2-carboxylate
CID 100995685
2-methylpropyl benzoate;2-methylpropyl 2-methylpropanoate
CID 174922501
benzyl 2-(azetidin-1-yl)acetate
CID 140980014
2-methylpropyl 2-benzoylbenzoate
CID 142743650
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate?
The IUPAC name of 2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate (CID 10138983) is 2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate.
What is the SMILES notation for 2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate?
The canonical SMILES for 2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate is CC(C)COC(=O)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate?
The InChIKey is IMFCVGCQSKJRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-19(2)18-27-23(26)17-25-15-13-22(14-16-25)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19H,13-18H2,1-2H3.
What are the key properties of 2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate?
2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate has a molecular weight of 363.50 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate is sourced from PubChem (CID 10138983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).