1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide

C21H25N3O3 — CID 42961707

IUPAC1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCc2ccc(OCc3cccnc3)cc2)C1
InChIInChI=1S/C21H25N3O3/c1-16(25)24-11-3-5-19(14-24)21(26)23-13-17-6-8-20(9-7-17)27-15-18-4-2-10-22-12-18/h2,4,6-10,12,19H,3,5,11,13-15H2,1H3,(H,23,26)
InChIKeyVLAKGRYPNWNBRV-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.54
Rot. Bonds6

About 1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide

1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 42961707) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
PubChem CID42961707
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCc2ccc(OCc3cccnc3)cc2)C1
InChIInChI=1S/C21H25N3O3/c1-16(25)24-11-3-5-19(14-24)21(26)23-13-17-6-8-20(9-7-17)27-15-18-4-2-10-22-12-18/h2,4,6-10,12,19H,3,5,11,13-15H2,1H3,(H,23,26)
InChIKeyVLAKGRYPNWNBRV-UHFFFAOYSA-N
XLogP2.54
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide (CID 42961707) is 1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)NCc2ccc(OCc3cccnc3)cc2)C1.
What is the InChIKey of 1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is VLAKGRYPNWNBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16(25)24-11-3-5-19(14-24)21(26)23-13-17-6-8-20(9-7-17)27-15-18-4-2-10-22-12-18/h2,4,6-10,12,19H,3,5,11,13-15H2,1H3,(H,23,26).
What are the key properties of 1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide?
1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 42961707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).