tert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate

C20H32N4O2 — CID 102541722

IUPACtert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate
SMILESCCN1CCCC1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H32N4O2/c1-5-22-11-7-9-17(22)16-8-6-10-21-18(16)23-12-14-24(15-13-23)19(25)26-20(2,3)4/h6,8,10,17H,5,7,9,11-15H2,1-4H3
InChIKeyCDYDZDWAKPFBSN-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.30
Rot. Bonds3

About tert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate

tert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 102541722) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is tert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate
PubChem CID102541722
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Nametert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate
SMILESCCN1CCCC1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H32N4O2/c1-5-22-11-7-9-17(22)16-8-6-10-21-18(16)23-12-14-24(15-13-23)19(25)26-20(2,3)4/h6,8,10,17H,5,7,9,11-15H2,1-4H3
InChIKeyCDYDZDWAKPFBSN-UHFFFAOYSA-N
XLogP3.30
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(2-piperazin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102541661
tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
CID 70571171
tert-butyl 4-(3-fluoro-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 171323898
tert-butyl 4-[3-(acetamidocarbamoyl)-2-pyridinyl]piperazine-1-carboxylate
CID 139512603
tert-butyl 4-[3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 102541747
tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541278
tert-butyl 4-[3-(2,3,4,5-tetrahydropyridin-6-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 102541732
tert-butyl 4-[5-(1-propylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 102541695
tert-butyl 4-[3-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 168503568
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 131739918
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 169205005
tert-butyl 4-[(7S)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]piperazine-1-carboxylate
CID 67986525

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate (CID 102541722) is tert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate is CCN1CCCC1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is CDYDZDWAKPFBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-5-22-11-7-9-17(22)16-8-6-10-21-18(16)23-12-14-24(15-13-23)19(25)26-20(2,3)4/h6,8,10,17H,5,7,9,11-15H2,1-4H3.
What are the key properties of tert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate?
tert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 360.50 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 102541722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).