(1-phenylcyclopropyl)methyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxylate

C24H28N4O2 — CID 10692610

IUPAC(1-phenylcyclopropyl)methyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxylate
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)OCC2(c3ccccc3)CC2)CC1
InChIInChI=1S/C24H28N4O2/c1-18-26-21-15-25-12-7-22(21)28(18)16-19-8-13-27(14-9-19)23(29)30-17-24(10-11-24)20-5-3-2-4-6-20/h2-7,12,15,19H,8-11,13-14,16-17H2,1H3
InChIKeyQLCZQDHWIBBCCS-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.32
Rot. Bonds5

About (1-phenylcyclopropyl)methyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxylate

(1-phenylcyclopropyl)methyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxylate (PubChem CID 10692610) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (1-phenylcyclopropyl)methyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-phenylcyclopropyl)methyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxylate
PubChem CID10692610
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name(1-phenylcyclopropyl)methyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxylate
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)OCC2(c3ccccc3)CC2)CC1
InChIInChI=1S/C24H28N4O2/c1-18-26-21-15-25-12-7-22(21)28(18)16-19-8-13-27(14-9-19)23(29)30-17-24(10-11-24)20-5-3-2-4-6-20/h2-7,12,15,19H,8-11,13-14,16-17H2,1H3
InChIKeyQLCZQDHWIBBCCS-UHFFFAOYSA-N
XLogP4.32
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopropyl)methyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of (1-phenylcyclopropyl)methyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxylate (CID 10692610) is (1-phenylcyclopropyl)methyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for (1-phenylcyclopropyl)methyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for (1-phenylcyclopropyl)methyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxylate is Cc1nc2cnccc2n1CC1CCN(C(=O)OCC2(c3ccccc3)CC2)CC1.
What is the InChIKey of (1-phenylcyclopropyl)methyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxylate?
The InChIKey is QLCZQDHWIBBCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-18-26-21-15-25-12-7-22(21)28(18)16-19-8-13-27(14-9-19)23(29)30-17-24(10-11-24)20-5-3-2-4-6-20/h2-7,12,15,19H,8-11,13-14,16-17H2,1H3.
What are the key properties of (1-phenylcyclopropyl)methyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxylate?
(1-phenylcyclopropyl)methyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxylate has a molecular weight of 404.51 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopropyl)methyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 10692610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).