cyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

C20H30N4O2 — CID 118738892

IUPACcyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCC1CCCCN1C(=O)c1nc2c(n1C(C)C)CCN(C(=O)C1CC1)C2
InChIInChI=1S/C20H30N4O2/c1-13(2)24-17-9-11-22(19(25)15-7-8-15)12-16(17)21-18(24)20(26)23-10-5-4-6-14(23)3/h13-15H,4-12H2,1-3H3
InChIKeyZYQBNZNVOVMJFX-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.77
Rot. Bonds3

About cyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

cyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 118738892) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is cyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID118738892
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Namecyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCC1CCCCN1C(=O)c1nc2c(n1C(C)C)CCN(C(=O)C1CC1)C2
InChIInChI=1S/C20H30N4O2/c1-13(2)24-17-9-11-22(19(25)15-7-8-15)12-16(17)21-18(24)20(26)23-10-5-4-6-14(23)3/h13-15H,4-12H2,1-3H3
InChIKeyZYQBNZNVOVMJFX-UHFFFAOYSA-N
XLogP2.77
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of cyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (CID 118738892) is cyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for cyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is CC1CCCCN1C(=O)c1nc2c(n1C(C)C)CCN(C(=O)C1CC1)C2.
What is the InChIKey of cyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is ZYQBNZNVOVMJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-13(2)24-17-9-11-22(19(25)15-7-8-15)12-16(17)21-18(24)20(26)23-10-5-4-6-14(23)3/h13-15H,4-12H2,1-3H3.
What are the key properties of cyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
cyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 358.49 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 118738892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).