N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]pyridine-3-carboxamide

C25H33N3O2 — CID 95853242

IUPACN-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C2(CN3CCC(NC(=O)c4cccnc4)CC3)CCCCC2)cc1
InChIInChI=1S/C25H33N3O2/c1-30-23-9-7-21(8-10-23)25(13-3-2-4-14-25)19-28-16-11-22(12-17-28)27-24(29)20-6-5-15-26-18-20/h5-10,15,18,22H,2-4,11-14,16-17,19H2,1H3,(H,27,29)
InChIKeyLHMDDJMXBSGJMO-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.19
Rot. Bonds6

About N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]pyridine-3-carboxamide

N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 95853242) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID95853242
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C2(CN3CCC(NC(=O)c4cccnc4)CC3)CCCCC2)cc1
InChIInChI=1S/C25H33N3O2/c1-30-23-9-7-21(8-10-23)25(13-3-2-4-14-25)19-28-16-11-22(12-17-28)27-24(29)20-6-5-15-26-18-20/h5-10,15,18,22H,2-4,11-14,16-17,19H2,1H3,(H,27,29)
InChIKeyLHMDDJMXBSGJMO-UHFFFAOYSA-N
XLogP4.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 95853242) is N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is COc1ccc(C2(CN3CCC(NC(=O)c4cccnc4)CC3)CCCCC2)cc1.
What is the InChIKey of N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is LHMDDJMXBSGJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-30-23-9-7-21(8-10-23)25(13-3-2-4-14-25)19-28-16-11-22(12-17-28)27-24(29)20-6-5-15-26-18-20/h5-10,15,18,22H,2-4,11-14,16-17,19H2,1H3,(H,27,29).
What are the key properties of N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95853242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).