N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-methylnicotinamide

C34H37N5O4 — CID 66710664

IUPACN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide
SMILESCN(C1CCN(CC1)CC2=CC=C(C=C2)C#N)C(=O)C3=CN=C(C=C3)C(=O)N4CCC(CC4)C(=O)C5=CC=C(C=C5)OC
InChIInChI=1S/C34H37N5O4/c1-37(29-15-17-38(18-16-29)23-25-5-3-24(21-35)4-6-25)33(41)28-9-12-31(36-22-28)34(42)39-19-13-27(14-20-39)32(40)26-7-10-30(43-2)11-8-26/h3-12,22,27,29H,13-20,23H2,1-2H3
InChIKeyFRYJAPPODQHJRU-UHFFFAOYSA-N
MW579.70 g/mol
LogP3.70
Rot. Bonds8

About N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-methylnicotinamide

N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-methylnicotinamide (PubChem CID 66710664) has the molecular formula C34H37N5O4 and a molecular weight of 579.70 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-methylnicotinamide
PubChem CID66710664
Molecular FormulaC34H37N5O4
Molecular Weight579.70 g/mol
Exact Mass579.28
IUPAC NameN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide
SMILESCN(C1CCN(CC1)CC2=CC=C(C=C2)C#N)C(=O)C3=CN=C(C=C3)C(=O)N4CCC(CC4)C(=O)C5=CC=C(C=C5)OC
InChIInChI=1S/C34H37N5O4/c1-37(29-15-17-38(18-16-29)23-25-5-3-24(21-35)4-6-25)33(41)28-9-12-31(36-22-28)34(42)39-19-13-27(14-20-39)32(40)26-7-10-30(43-2)11-8-26/h3-12,22,27,29H,13-20,23H2,1-2H3
InChIKeyFRYJAPPODQHJRU-UHFFFAOYSA-N
XLogP3.70
TPSA107.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity995

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.70
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-methylnicotinamide?
The IUPAC name of N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-methylnicotinamide (CID 66710664) is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-methylnicotinamide?
The canonical SMILES for N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-methylnicotinamide is CN(C1CCN(CC1)CC2=CC=C(C=C2)C#N)C(=O)C3=CN=C(C=C3)C(=O)N4CCC(CC4)C(=O)C5=CC=C(C=C5)OC.
What is the InChIKey of N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-methylnicotinamide?
The InChIKey is FRYJAPPODQHJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O4/c1-37(29-15-17-38(18-16-29)23-25-5-3-24(21-35)4-6-25)33(41)28-9-12-31(36-22-28)34(42)39-19-13-27(14-20-39)32(40)26-7-10-30(43-2)11-8-26/h3-12,22,27,29H,13-20,23H2,1-2H3.
What are the key properties of N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-methylnicotinamide?
N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-methylnicotinamide has a molecular weight of 579.70 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-methylnicotinamide is sourced from PubChem (CID 66710664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).