(4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone

C16H26N4O — CID 79352607

IUPAC(4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
SMILESCC(C)(C)C1CCN(C(=O)C2Cc3nc[nH]c3CN2)CC1
InChIInChI=1S/C16H26N4O/c1-16(2,3)11-4-6-20(7-5-11)15(21)13-8-12-14(9-17-13)19-10-18-12/h10-11,13,17H,4-9H2,1-3H3,(H,18,19)
InChIKeyYDLKEPFDSKBZMD-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.71
Rot. Bonds1

About (4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone

(4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone (PubChem CID 79352607) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
PubChem CID79352607
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
SMILESCC(C)(C)C1CCN(C(=O)C2Cc3nc[nH]c3CN2)CC1
InChIInChI=1S/C16H26N4O/c1-16(2,3)11-4-6-20(7-5-11)15(21)13-8-12-14(9-17-13)19-10-18-12/h10-11,13,17H,4-9H2,1-3H3,(H,18,19)
InChIKeyYDLKEPFDSKBZMD-UHFFFAOYSA-N
XLogP1.71
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The IUPAC name of (4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone (CID 79352607) is (4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone.
What is the SMILES notation for (4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The canonical SMILES for (4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone is CC(C)(C)C1CCN(C(=O)C2Cc3nc[nH]c3CN2)CC1.
What is the InChIKey of (4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The InChIKey is YDLKEPFDSKBZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-16(2,3)11-4-6-20(7-5-11)15(21)13-8-12-14(9-17-13)19-10-18-12/h10-11,13,17H,4-9H2,1-3H3,(H,18,19).
What are the key properties of (4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
(4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone is sourced from PubChem (CID 79352607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).