methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate

C19H24N2O4 — CID 36801576

IUPACmethyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C19H24N2O4/c1-25-19(24)16-6-4-14(5-7-16)17(22)21-12-8-15(9-13-21)18(23)20-10-2-3-11-20/h4-7,15H,2-3,8-13H2,1H3
InChIKeyCABQHMJKELPEAM-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.95
Rot. Bonds3

About methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate

methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate (PubChem CID 36801576) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate
PubChem CID36801576
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namemethyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C19H24N2O4/c1-25-19(24)16-6-4-14(5-7-16)17(22)21-12-8-15(9-13-21)18(23)20-10-2-3-11-20/h4-7,15H,2-3,8-13H2,1H3
InChIKeyCABQHMJKELPEAM-UHFFFAOYSA-N
XLogP1.95
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029877
methyl 4-[[4-(azepane-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109150256
methyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109146046
methyl 4-[4-(dimethylamino)piperidine-1-carbonyl]benzoate
CID 60579417
azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 55408103
methyl 4-[4-(methoxymethyl)piperidine-1-carbonyl]benzoate
CID 121091427
[1-[4-(difluoromethoxy)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026644
N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806427
azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118775973
methyl 1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 47027047
N-(2-methoxyphenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55349253

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate?
The IUPAC name of methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate (CID 36801576) is methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate.
What is the SMILES notation for methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate?
The canonical SMILES for methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate is COC(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate?
The InChIKey is CABQHMJKELPEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-25-19(24)16-6-4-14(5-7-16)17(22)21-12-8-15(9-13-21)18(23)20-10-2-3-11-20/h4-7,15H,2-3,8-13H2,1H3.
What are the key properties of methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate?
methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate has a molecular weight of 344.41 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate is sourced from PubChem (CID 36801576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).