tert-butyl 4-[2-[4-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate

C23H35N3O5 — CID 56580212

IUPACtert-butyl 4-[2-[4-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)N2CCC(C3OCCO3)CC2)CC1
InChIInChI=1S/C23H35N3O5/c1-23(2,3)31-22(28)25-13-8-18(9-14-25)26-10-4-5-19(26)20(27)24-11-6-17(7-12-24)21-29-15-16-30-21/h4-5,10,17-18,21H,6-9,11-16H2,1-3H3
InChIKeyYVLMEYQTBANKKW-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.29
Rot. Bonds3

About tert-butyl 4-[2-[4-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[2-[4-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate (PubChem CID 56580212) has the molecular formula C23H35N3O5 and a molecular weight of 433.55 g/mol. Its IUPAC name is tert-butyl 4-[2-[4-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[4-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate
PubChem CID56580212
Molecular FormulaC23H35N3O5
Molecular Weight433.55 g/mol
Exact Mass433.26
IUPAC Nametert-butyl 4-[2-[4-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)N2CCC(C3OCCO3)CC2)CC1
InChIInChI=1S/C23H35N3O5/c1-23(2,3)31-22(28)25-13-8-18(9-14-25)26-10-4-5-19(26)20(27)24-11-6-17(7-12-24)21-29-15-16-30-21/h4-5,10,17-18,21H,6-9,11-16H2,1-3H3
InChIKeyYVLMEYQTBANKKW-UHFFFAOYSA-N
XLogP3.29
TPSA73.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[2-[4-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

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tert-butyl 4-[2-(2-ethylsulfonylethylcarbamoyl)pyrrol-1-yl]piperidine-1-carboxylate
CID 56580959
tert-butyl 4-[2-[(4-methoxy-3-methylphenyl)carbamoyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56580198
tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate
CID 171497821
tert-butyl 4-[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56513052
morpholin-4-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62715735
tert-butyl 4-[2-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]pyrrol-1-yl]piperidine-1-carboxylate
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tert-butyl 4-[2-[2-(2-methoxyphenoxy)ethylcarbamoyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56538766
tert-butyl 4-[2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]carbamoyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56514391
tert-butyl 4-[2-[(2-pyrazol-1-ylphenyl)methylcarbamoyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56539191
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrole-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[4-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[4-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate (CID 56580212) is tert-butyl 4-[2-[4-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[4-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[4-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)N2CCC(C3OCCO3)CC2)CC1.
What is the InChIKey of tert-butyl 4-[2-[4-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate?
The InChIKey is YVLMEYQTBANKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O5/c1-23(2,3)31-22(28)25-13-8-18(9-14-25)26-10-4-5-19(26)20(27)24-11-6-17(7-12-24)21-29-15-16-30-21/h4-5,10,17-18,21H,6-9,11-16H2,1-3H3.
What are the key properties of tert-butyl 4-[2-[4-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-[4-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate has a molecular weight of 433.55 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[4-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 56580212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).