N-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide

C23H29N3O3 — CID 108924675

IUPACN-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESCc1ccccc1OCCCC(=O)N1CCC(CNC(=O)c2cccnc2)CC1
InChIInChI=1S/C23H29N3O3/c1-18-6-2-3-8-21(18)29-15-5-9-22(27)26-13-10-19(11-14-26)16-25-23(28)20-7-4-12-24-17-20/h2-4,6-8,12,17,19H,5,9-11,13-16H2,1H3,(H,25,28)
InChIKeyRSMFGDZFTRBOCK-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.22
Rot. Bonds8

About N-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide

N-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 108924675) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
PubChem CID108924675
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESCc1ccccc1OCCCC(=O)N1CCC(CNC(=O)c2cccnc2)CC1
InChIInChI=1S/C23H29N3O3/c1-18-6-2-3-8-21(18)29-15-5-9-22(27)26-13-10-19(11-14-26)16-25-23(28)20-7-4-12-24-17-20/h2-4,6-8,12,17,19H,5,9-11,13-16H2,1H3,(H,25,28)
InChIKeyRSMFGDZFTRBOCK-UHFFFAOYSA-N
XLogP3.22
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924781
N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548470
N-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide
CID 108926624
N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924721
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521364
N-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide
CID 108925317
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-(2-methylphenoxy)butan-1-one;hydrochloride
CID 119487146
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-(2-methylphenoxy)butan-1-one
CID 115746401
1-(4-methylazepan-1-yl)-4-(2-methylphenoxy)butan-1-one
CID 60599847
N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924745
N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924591

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide (CID 108924675) is N-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide is Cc1ccccc1OCCCC(=O)N1CCC(CNC(=O)c2cccnc2)CC1.
What is the InChIKey of N-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is RSMFGDZFTRBOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-18-6-2-3-8-21(18)29-15-5-9-22(27)26-13-10-19(11-14-26)16-25-23(28)20-7-4-12-24-17-20/h2-4,6-8,12,17,19H,5,9-11,13-16H2,1H3,(H,25,28).
What are the key properties of N-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
N-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108924675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).