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

C22H27N3O2 — CID 102541489

IUPACbenzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCCC1c1cccnc1N1CCCC1
InChIInChI=1S/C22H27N3O2/c26-22(27-17-18-9-2-1-3-10-18)25-16-5-4-12-20(25)19-11-8-13-23-21(19)24-14-6-7-15-24/h1-3,8-11,13,20H,4-7,12,14-17H2
InChIKeyDIXIYAKTOLSJQS-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.55
Rot. Bonds4

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

benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate (PubChem CID 102541489) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
PubChem CID102541489
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Namebenzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCCC1c1cccnc1N1CCCC1
InChIInChI=1S/C22H27N3O2/c26-22(27-17-18-9-2-1-3-10-18)25-16-5-4-12-20(25)19-11-8-13-23-21(19)24-14-6-7-15-24/h1-3,8-11,13,20H,4-7,12,14-17H2
InChIKeyDIXIYAKTOLSJQS-UHFFFAOYSA-N
XLogP4.55
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541678
benzyl 2-(2-piperazin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102541660
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
phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone
CID 102541555
benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 175376417
benzyl 2-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102542994
benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102543168
benzyl 2-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102541216
1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539508
benzyl 2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylate
CID 175062089

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate (CID 102541489) is benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCCC1c1cccnc1N1CCCC1.
What is the InChIKey of benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate?
The InChIKey is DIXIYAKTOLSJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-22(27-17-18-9-2-1-3-10-18)25-16-5-4-12-20(25)19-11-8-13-23-21(19)24-14-6-7-15-24/h1-3,8-11,13,20H,4-7,12,14-17H2.
What are the key properties of benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate?
benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate has a molecular weight of 365.48 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 102541489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).