tert-butyl 4-[5-(1-propylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate

C21H34N4O2 — CID 102541695

IUPACtert-butyl 4-[5-(1-propylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate
SMILESCCCN1CCCC1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C21H34N4O2/c1-5-10-23-11-6-7-18(23)17-8-9-19(22-16-17)24-12-14-25(15-13-24)20(26)27-21(2,3)4/h8-9,16,18H,5-7,10-15H2,1-4H3
InChIKeyFSTUIIBEZZWSAD-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.69
Rot. Bonds4

About tert-butyl 4-[5-(1-propylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate

tert-butyl 4-[5-(1-propylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 102541695) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is tert-butyl 4-[5-(1-propylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(1-propylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate
PubChem CID102541695
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Nametert-butyl 4-[5-(1-propylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate
SMILESCCCN1CCCC1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C21H34N4O2/c1-5-10-23-11-6-7-18(23)17-8-9-19(22-16-17)24-12-14-25(15-13-24)20(26)27-21(2,3)4/h8-9,16,18H,5-7,10-15H2,1-4H3
InChIKeyFSTUIIBEZZWSAD-UHFFFAOYSA-N
XLogP3.69
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 166113298
tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541520
tert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541132
6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 2771843
tert-butyl 4-(5-formyl-2-pyridinyl)piperazine-1-carboxylate;hydrochloride
CID 175531305
tert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 102541722
tert-butyl 4-(6-pyrrolidin-1-yl-3-pyridinyl)-1,4-diazepane-1-carboxylate
CID 22478457
tert-butyl 4-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]piperazine-1-carboxylate
CID 102546803
tert-butyl 4-[5-(difluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 67284193
tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate
CID 143289183
tert-butyl 4-[5-[(Z)-hydroxyiminomethyl]-2-pyridinyl]piperazine-1-carboxylate
CID 124502961
6-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 67560935

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(1-propylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(1-propylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate (CID 102541695) is tert-butyl 4-[5-(1-propylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(1-propylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(1-propylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate is CCCN1CCCC1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1.
What is the InChIKey of tert-butyl 4-[5-(1-propylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is FSTUIIBEZZWSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-5-10-23-11-6-7-18(23)17-8-9-19(22-16-17)24-12-14-25(15-13-24)20(26)27-21(2,3)4/h8-9,16,18H,5-7,10-15H2,1-4H3.
What are the key properties of tert-butyl 4-[5-(1-propylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate?
tert-butyl 4-[5-(1-propylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 374.53 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(1-propylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 102541695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).