(6R)-N-(1-benzylpiperidin-4-yl)-6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C29H36N4O2 — CID 93013428

IUPAC(6R)-N-(1-benzylpiperidin-4-yl)-6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1c(C)cc([C@H]2CCc3nc(C(=O)NC4CCN(Cc5ccccc5)CC4)cn3C2)cc1C
InChIInChI=1S/C29H36N4O2/c1-20-15-24(16-21(2)28(20)35-3)23-9-10-27-31-26(19-33(27)18-23)29(34)30-25-11-13-32(14-12-25)17-22-7-5-4-6-8-22/h4-8,15-16,19,23,25H,9-14,17-18H2,1-3H3,(H,30,34)/t23-/m0/s1
InChIKeyAUXHFAOCXVTJBF-QHCPKHFHSA-N
MW472.63 g/mol
LogP4.63
Rot. Bonds6

About (6R)-N-(1-benzylpiperidin-4-yl)-6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

(6R)-N-(1-benzylpiperidin-4-yl)-6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 93013428) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is (6R)-N-(1-benzylpiperidin-4-yl)-6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name(6R)-N-(1-benzylpiperidin-4-yl)-6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID93013428
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC Name(6R)-N-(1-benzylpiperidin-4-yl)-6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1c(C)cc([C@H]2CCc3nc(C(=O)NC4CCN(Cc5ccccc5)CC4)cn3C2)cc1C
InChIInChI=1S/C29H36N4O2/c1-20-15-24(16-21(2)28(20)35-3)23-9-10-27-31-26(19-33(27)18-23)29(34)30-25-11-13-32(14-12-25)17-22-7-5-4-6-8-22/h4-8,15-16,19,23,25H,9-14,17-18H2,1-3H3,(H,30,34)/t23-/m0/s1
InChIKeyAUXHFAOCXVTJBF-QHCPKHFHSA-N
XLogP4.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-N-(1-benzylpiperidin-4-yl)-6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of (6R)-N-(1-benzylpiperidin-4-yl)-6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 93013428) is (6R)-N-(1-benzylpiperidin-4-yl)-6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for (6R)-N-(1-benzylpiperidin-4-yl)-6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for (6R)-N-(1-benzylpiperidin-4-yl)-6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is COc1c(C)cc([C@H]2CCc3nc(C(=O)NC4CCN(Cc5ccccc5)CC4)cn3C2)cc1C.
What is the InChIKey of (6R)-N-(1-benzylpiperidin-4-yl)-6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is AUXHFAOCXVTJBF-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-20-15-24(16-21(2)28(20)35-3)23-9-10-27-31-26(19-33(27)18-23)29(34)30-25-11-13-32(14-12-25)17-22-7-5-4-6-8-22/h4-8,15-16,19,23,25H,9-14,17-18H2,1-3H3,(H,30,34)/t23-/m0/s1.
What are the key properties of (6R)-N-(1-benzylpiperidin-4-yl)-6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
(6R)-N-(1-benzylpiperidin-4-yl)-6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 472.63 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(1-benzylpiperidin-4-yl)-6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 93013428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).