1-[4-(4-tert-butylpiperidine-1-carbonyl)-5,6-dimethylpyridine-2-carbonyl]-4-phenylpiperidine-4-carbonitrile

C30H38N4O2 — CID 156874351

IUPAC1-[4-(4-tert-butylpiperidine-1-carbonyl)-5,6-dimethylpyridine-2-carbonyl]-4-phenylpiperidine-4-carbonitrile
SMILESCc1nc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cc(C(=O)N2CCC(C(C)(C)C)CC2)c1C
InChIInChI=1S/C30H38N4O2/c1-21-22(2)32-26(19-25(21)27(35)33-15-11-23(12-16-33)29(3,4)5)28(36)34-17-13-30(20-31,14-18-34)24-9-7-6-8-10-24/h6-10,19,23H,11-18H2,1-5H3
InChIKeyXLSBTECHAPCULG-UHFFFAOYSA-N
MW486.66 g/mol
LogP5.29
Rot. Bonds3

About 1-[4-(4-tert-butylpiperidine-1-carbonyl)-5,6-dimethylpyridine-2-carbonyl]-4-phenylpiperidine-4-carbonitrile

1-[4-(4-tert-butylpiperidine-1-carbonyl)-5,6-dimethylpyridine-2-carbonyl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 156874351) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is 1-[4-(4-tert-butylpiperidine-1-carbonyl)-5,6-dimethylpyridine-2-carbonyl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[4-(4-tert-butylpiperidine-1-carbonyl)-5,6-dimethylpyridine-2-carbonyl]-4-phenylpiperidine-4-carbonitrile
PubChem CID156874351
Molecular FormulaC30H38N4O2
Molecular Weight486.66 g/mol
Exact Mass486.30
IUPAC Name1-[4-(4-tert-butylpiperidine-1-carbonyl)-5,6-dimethylpyridine-2-carbonyl]-4-phenylpiperidine-4-carbonitrile
SMILESCc1nc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cc(C(=O)N2CCC(C(C)(C)C)CC2)c1C
InChIInChI=1S/C30H38N4O2/c1-21-22(2)32-26(19-25(21)27(35)33-15-11-23(12-16-33)29(3,4)5)28(36)34-17-13-30(20-31,14-18-34)24-9-7-6-8-10-24/h6-10,19,23H,11-18H2,1-5H3
InChIKeyXLSBTECHAPCULG-UHFFFAOYSA-N
XLogP5.29
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylpiperidine-1-carbonyl)-5,6-dimethylpyridine-2-carbonyl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[4-(4-tert-butylpiperidine-1-carbonyl)-5,6-dimethylpyridine-2-carbonyl]-4-phenylpiperidine-4-carbonitrile (CID 156874351) is 1-[4-(4-tert-butylpiperidine-1-carbonyl)-5,6-dimethylpyridine-2-carbonyl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[4-(4-tert-butylpiperidine-1-carbonyl)-5,6-dimethylpyridine-2-carbonyl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[4-(4-tert-butylpiperidine-1-carbonyl)-5,6-dimethylpyridine-2-carbonyl]-4-phenylpiperidine-4-carbonitrile is Cc1nc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cc(C(=O)N2CCC(C(C)(C)C)CC2)c1C.
What is the InChIKey of 1-[4-(4-tert-butylpiperidine-1-carbonyl)-5,6-dimethylpyridine-2-carbonyl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is XLSBTECHAPCULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O2/c1-21-22(2)32-26(19-25(21)27(35)33-15-11-23(12-16-33)29(3,4)5)28(36)34-17-13-30(20-31,14-18-34)24-9-7-6-8-10-24/h6-10,19,23H,11-18H2,1-5H3.
What are the key properties of 1-[4-(4-tert-butylpiperidine-1-carbonyl)-5,6-dimethylpyridine-2-carbonyl]-4-phenylpiperidine-4-carbonitrile?
1-[4-(4-tert-butylpiperidine-1-carbonyl)-5,6-dimethylpyridine-2-carbonyl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 486.66 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylpiperidine-1-carbonyl)-5,6-dimethylpyridine-2-carbonyl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 156874351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).