N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide

C25H34N4O — CID 46384662

IUPACN-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESCc1ccc(CN2CCC(CNC(=O)C3CCCN(c4ccncc4)C3)CC2)cc1
InChIInChI=1S/C25H34N4O/c1-20-4-6-22(7-5-20)18-28-15-10-21(11-16-28)17-27-25(30)23-3-2-14-29(19-23)24-8-12-26-13-9-24/h4-9,12-13,21,23H,2-3,10-11,14-19H2,1H3,(H,27,30)
InChIKeyFXNNGOJKUBMHIS-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.63
Rot. Bonds6

About N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide

N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 46384662) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
PubChem CID46384662
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC NameN-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESCc1ccc(CN2CCC(CNC(=O)C3CCCN(c4ccncc4)C3)CC2)cc1
InChIInChI=1S/C25H34N4O/c1-20-4-6-22(7-5-20)18-28-15-10-21(11-16-28)17-27-25(30)23-3-2-14-29(19-23)24-8-12-26-13-9-24/h4-9,12-13,21,23H,2-3,10-11,14-19H2,1H3,(H,27,30)
InChIKeyFXNNGOJKUBMHIS-UHFFFAOYSA-N
XLogP3.63
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide (CID 46384662) is N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide is Cc1ccc(CN2CCC(CNC(=O)C3CCCN(c4ccncc4)C3)CC2)cc1.
What is the InChIKey of N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is FXNNGOJKUBMHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c1-20-4-6-22(7-5-20)18-28-15-10-21(11-16-28)17-27-25(30)23-3-2-14-29(19-23)24-8-12-26-13-9-24/h4-9,12-13,21,23H,2-3,10-11,14-19H2,1H3,(H,27,30).
What are the key properties of N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46384662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).