1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C24H36N6O — CID 28955762

IUPAC1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCCc1nc(CN2CCC(N3CCC(C(=O)NCc4ccccn4)CC3)CC2)c(C)[nH]1
InChIInChI=1S/C24H36N6O/c1-3-23-27-18(2)22(28-23)17-29-12-9-21(10-13-29)30-14-7-19(8-15-30)24(31)26-16-20-6-4-5-11-25-20/h4-6,11,19,21H,3,7-10,12-17H2,1-2H3,(H,26,31)(H,27,28)
InChIKeyBTPMDGNLWZRHEO-UHFFFAOYSA-N
MW424.59 g/mol
LogP2.67
Rot. Bonds7

About 1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 28955762) has the molecular formula C24H36N6O and a molecular weight of 424.59 g/mol. Its IUPAC name is 1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID28955762
Molecular FormulaC24H36N6O
Molecular Weight424.59 g/mol
Exact Mass424.30
IUPAC Name1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCCc1nc(CN2CCC(N3CCC(C(=O)NCc4ccccn4)CC3)CC2)c(C)[nH]1
InChIInChI=1S/C24H36N6O/c1-3-23-27-18(2)22(28-23)17-29-12-9-21(10-13-29)30-14-7-19(8-15-30)24(31)26-16-20-6-4-5-11-25-20/h4-6,11,19,21H,3,7-10,12-17H2,1-2H3,(H,26,31)(H,27,28)
InChIKeyBTPMDGNLWZRHEO-UHFFFAOYSA-N
XLogP2.67
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-cyclohexylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 26411415
1-[1-[(4-ethynylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 24817224
1-[1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 29188826
1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 45253215
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 118781434
1-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 26392970
(3R)-1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96580415
(3S)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96571119
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 38116446
1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3316052
(3S)-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95551272
1-[(4-chloro-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 100684761

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 28955762) is 1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is CCc1nc(CN2CCC(N3CCC(C(=O)NCc4ccccn4)CC3)CC2)c(C)[nH]1.
What is the InChIKey of 1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is BTPMDGNLWZRHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O/c1-3-23-27-18(2)22(28-23)17-29-12-9-21(10-13-29)30-14-7-19(8-15-30)24(31)26-16-20-6-4-5-11-25-20/h4-6,11,19,21H,3,7-10,12-17H2,1-2H3,(H,26,31)(H,27,28).
What are the key properties of 1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 28955762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).