1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide

C22H27N3O4 — CID 47062766

IUPAC1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2ccc(OCCOc3ccccc3)nc2)CC1
InChIInChI=1S/C22H27N3O4/c1-17(26)25-11-9-19(10-12-25)22(27)24-16-18-7-8-21(23-15-18)29-14-13-28-20-5-3-2-4-6-20/h2-8,15,19H,9-14,16H2,1H3,(H,24,27)
InChIKeySVJHWPCOSCFIIF-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.41
Rot. Bonds8

About 1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide

1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide (PubChem CID 47062766) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide
PubChem CID47062766
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2ccc(OCCOc3ccccc3)nc2)CC1
InChIInChI=1S/C22H27N3O4/c1-17(26)25-11-9-19(10-12-25)22(27)24-16-18-7-8-21(23-15-18)29-14-13-28-20-5-3-2-4-6-20/h2-8,15,19H,9-14,16H2,1H3,(H,24,27)
InChIKeySVJHWPCOSCFIIF-UHFFFAOYSA-N
XLogP2.41
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55744255
ethyl 1-[N'-methyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111157806
1-acetyl-N-[(6-cyclopropyl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 134160793
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55800630
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
CID 51128774
1-N-(3-methylphenyl)-4-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 86899493
N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55853684
N-[(6-methoxy-3-pyridinyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51306117
ethyl 4-[[N'-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111061065
1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 62992812
ethyl 4-[[N'-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111061064
1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 53107338

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide (CID 47062766) is 1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCc2ccc(OCCOc3ccccc3)nc2)CC1.
What is the InChIKey of 1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide?
The InChIKey is SVJHWPCOSCFIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-17(26)25-11-9-19(10-12-25)22(27)24-16-18-7-8-21(23-15-18)29-14-13-28-20-5-3-2-4-6-20/h2-8,15,19H,9-14,16H2,1H3,(H,24,27).
What are the key properties of 1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide?
1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 47062766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).