[1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

C20H28N2O2 — CID 94861219

IUPAC[1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(C(=O)N3CCCC[C@H]3C)CC2)cc1
InChIInChI=1S/C20H28N2O2/c1-15-6-8-17(9-7-15)19(23)21-13-10-18(11-14-21)20(24)22-12-4-3-5-16(22)2/h6-9,16,18H,3-5,10-14H2,1-2H3/t16-/m1/s1
InChIKeyXIVOTHCDJIDZEN-MRXNPFEDSA-N
MW328.46 g/mol
LogP3.25
Rot. Bonds2

About [1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

[1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 94861219) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is [1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID94861219
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name[1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(C(=O)N3CCCC[C@H]3C)CC2)cc1
InChIInChI=1S/C20H28N2O2/c1-15-6-8-17(9-7-15)19(23)21-13-10-18(11-14-21)20(24)22-12-4-3-5-16(22)2/h6-9,16,18H,3-5,10-14H2,1-2H3/t16-/m1/s1
InChIKeyXIVOTHCDJIDZEN-MRXNPFEDSA-N
XLogP3.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
(2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 93208320
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
(2-methylpiperidin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 17224089
(4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 9375191
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118775973
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
(4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone
CID 112811380
4-[4-(4-methylbenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672880
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (CID 94861219) is [1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(C(=O)N3CCCC[C@H]3C)CC2)cc1.
What is the InChIKey of [1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is XIVOTHCDJIDZEN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15-6-8-17(9-7-15)19(23)21-13-10-18(11-14-21)20(24)22-12-4-3-5-16(22)2/h6-9,16,18H,3-5,10-14H2,1-2H3/t16-/m1/s1.
What are the key properties of [1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
[1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 328.46 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 94861219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).