benzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate

C22H28N4O2 — CID 102541678

IUPACbenzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCCC1c1cccnc1N1CCNCC1
InChIInChI=1S/C22H28N4O2/c27-22(28-17-18-7-2-1-3-8-18)26-14-5-4-10-20(26)19-9-6-11-24-21(19)25-15-12-23-13-16-25/h1-3,6-9,11,20,23H,4-5,10,12-17H2
InChIKeyGNUFUPYNRSNPMU-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.36
Rot. Bonds4

About benzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate

benzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate (PubChem CID 102541678) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is benzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate
PubChem CID102541678
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Namebenzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCCC1c1cccnc1N1CCNCC1
InChIInChI=1S/C22H28N4O2/c27-22(28-17-18-7-2-1-3-8-18)26-14-5-4-10-20(26)19-9-6-11-24-21(19)25-15-12-23-13-16-25/h1-3,6-9,11,20,23H,4-5,10,12-17H2
InChIKeyGNUFUPYNRSNPMU-UHFFFAOYSA-N
XLogP3.36
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-(2-piperazin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102541660
benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541489
tert-butyl 2-(2-piperazin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102541661
1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine
CID 102541676
benzyl 2-(2-cyclohexylsulfanyl-3-pyridinyl)piperidine-1-carboxylate
CID 102542185
benzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102540544
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 175376417
phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone
CID 102541555
benzyl 2-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102542994
benzyl 2-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102541216
benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102543168

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate (CID 102541678) is benzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCCC1c1cccnc1N1CCNCC1.
What is the InChIKey of benzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate?
The InChIKey is GNUFUPYNRSNPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-22(28-17-18-7-2-1-3-8-18)26-14-5-4-10-20(26)19-9-6-11-24-21(19)25-15-12-23-13-16-25/h1-3,6-9,11,20,23H,4-5,10,12-17H2.
What are the key properties of benzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate?
benzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 102541678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).