[1-(pyridin-4-ylmethyl)piperidin-2-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone

C24H33N5O — CID 139013163

IUPAC[1-(pyridin-4-ylmethyl)piperidin-2-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCN1Cc1ccncc1)N1CCC(c2ncc3n2CCCC3)CC1
InChIInChI=1S/C24H33N5O/c30-24(22-6-2-3-13-28(22)18-19-7-11-25-12-8-19)27-15-9-20(10-16-27)23-26-17-21-5-1-4-14-29(21)23/h7-8,11-12,17,20,22H,1-6,9-10,13-16,18H2
InChIKeyCYYXYZOYNDQXGD-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.38
Rot. Bonds4

About [1-(pyridin-4-ylmethyl)piperidin-2-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone

[1-(pyridin-4-ylmethyl)piperidin-2-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 139013163) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is [1-(pyridin-4-ylmethyl)piperidin-2-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(pyridin-4-ylmethyl)piperidin-2-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID139013163
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name[1-(pyridin-4-ylmethyl)piperidin-2-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCN1Cc1ccncc1)N1CCC(c2ncc3n2CCCC3)CC1
InChIInChI=1S/C24H33N5O/c30-24(22-6-2-3-13-28(22)18-19-7-11-25-12-8-19)27-15-9-20(10-16-27)23-26-17-21-5-1-4-14-29(21)23/h7-8,11-12,17,20,22H,1-6,9-10,13-16,18H2
InChIKeyCYYXYZOYNDQXGD-UHFFFAOYSA-N
XLogP3.38
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(pyridin-4-ylmethyl)piperidin-2-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(pyridin-4-ylmethyl)piperidin-2-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 139013163) is [1-(pyridin-4-ylmethyl)piperidin-2-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(pyridin-4-ylmethyl)piperidin-2-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(pyridin-4-ylmethyl)piperidin-2-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone is O=C(C1CCCCN1Cc1ccncc1)N1CCC(c2ncc3n2CCCC3)CC1.
What is the InChIKey of [1-(pyridin-4-ylmethyl)piperidin-2-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is CYYXYZOYNDQXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c30-24(22-6-2-3-13-28(22)18-19-7-11-25-12-8-19)27-15-9-20(10-16-27)23-26-17-21-5-1-4-14-29(21)23/h7-8,11-12,17,20,22H,1-6,9-10,13-16,18H2.
What are the key properties of [1-(pyridin-4-ylmethyl)piperidin-2-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone?
[1-(pyridin-4-ylmethyl)piperidin-2-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 407.56 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyridin-4-ylmethyl)piperidin-2-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 139013163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).