benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate

C23H29N3O2 — CID 102543168

IUPACbenzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
SMILESCc1cc(N2CCCCC2)ncc1C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C23H29N3O2/c1-18-15-22(25-12-6-3-7-13-25)24-16-20(18)21-11-8-14-26(21)23(27)28-17-19-9-4-2-5-10-19/h2,4-5,9-10,15-16,21H,3,6-8,11-14,17H2,1H3
InChIKeyPKZXVKVKPNZGGY-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.85
Rot. Bonds4

About benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate

benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate (PubChem CID 102543168) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
PubChem CID102543168
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Namebenzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
SMILESCc1cc(N2CCCCC2)ncc1C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C23H29N3O2/c1-18-15-22(25-12-6-3-7-13-25)24-16-20(18)21-11-8-14-26(21)23(27)28-17-19-9-4-2-5-10-19/h2,4-5,9-10,15-16,21H,3,6-8,11-14,17H2,1H3
InChIKeyPKZXVKVKPNZGGY-UHFFFAOYSA-N
XLogP4.85
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102542994
5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
CID 102542992
5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
CID 102542973
benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541489
benzyl 2-(4-methyl-6-sulfanylidene-1H-pyridin-3-yl)pyrrolidine-1-carboxylate
CID 102542696
benzyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate
CID 124500264
benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 59548510
benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 175376417
benzyl 2-(2-methyl-6-sulfanylidene-1H-pyridin-3-yl)pyrrolidine-1-carboxylate
CID 102542728
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
5-(1-ethylpiperidin-2-yl)-4-methyl-2-piperidin-1-ylpyridine
CID 102543179
benzyl 2-(2-cyclohexylsulfanyl-3-pyridinyl)piperidine-1-carboxylate
CID 102542185

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate (CID 102543168) is benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate is Cc1cc(N2CCCCC2)ncc1C1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate?
The InChIKey is PKZXVKVKPNZGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-15-22(25-12-6-3-7-13-25)24-16-20(18)21-11-8-14-26(21)23(27)28-17-19-9-4-2-5-10-19/h2,4-5,9-10,15-16,21H,3,6-8,11-14,17H2,1H3.
What are the key properties of benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate?
benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate has a molecular weight of 379.50 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 102543168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).