N-(1-benzylpiperidin-4-yl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide

C28H29N5O — CID 91540334

IUPACN-(1-benzylpiperidin-4-yl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide
SMILESCC1=NC(C)=C(C#N)C(c2cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2)C1C#N
InChIInChI=1S/C28H29N5O/c1-19-25(16-29)27(26(17-30)20(2)31-19)22-9-6-10-23(15-22)28(34)32-24-11-13-33(14-12-24)18-21-7-4-3-5-8-21/h3-10,15,24-25,27H,11-14,18H2,1-2H3,(H,32,34)
InChIKeyMAMITBJFYRRLAX-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.58
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide

N-(1-benzylpiperidin-4-yl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide (PubChem CID 91540334) has the molecular formula C28H29N5O and a molecular weight of 451.57 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide
PubChem CID91540334
Molecular FormulaC28H29N5O
Molecular Weight451.57 g/mol
Exact Mass451.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide
SMILESCC1=NC(C)=C(C#N)C(c2cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2)C1C#N
InChIInChI=1S/C28H29N5O/c1-19-25(16-29)27(26(17-30)20(2)31-19)22-9-6-10-23(15-22)28(34)32-24-11-13-33(14-12-24)18-21-7-4-3-5-8-21/h3-10,15,24-25,27H,11-14,18H2,1-2H3,(H,32,34)
InChIKeyMAMITBJFYRRLAX-UHFFFAOYSA-N
XLogP4.58
TPSA92.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide (CID 91540334) is N-(1-benzylpiperidin-4-yl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide is CC1=NC(C)=C(C#N)C(c2cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2)C1C#N.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide?
The InChIKey is MAMITBJFYRRLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O/c1-19-25(16-29)27(26(17-30)20(2)31-19)22-9-6-10-23(15-22)28(34)32-24-11-13-33(14-12-24)18-21-7-4-3-5-8-21/h3-10,15,24-25,27H,11-14,18H2,1-2H3,(H,32,34).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide?
N-(1-benzylpiperidin-4-yl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide has a molecular weight of 451.57 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide is sourced from PubChem (CID 91540334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).