4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide

C23H29N3O3 — CID 42292182

IUPAC4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(OC2CCN(C[C@@H]3CCOC3)CC2)cc1
InChIInChI=1S/C23H29N3O3/c27-23(25-15-18-5-10-24-11-6-18)20-1-3-21(4-2-20)29-22-7-12-26(13-8-22)16-19-9-14-28-17-19/h1-6,10-11,19,22H,7-9,12-17H2,(H,25,27)/t19-/m0/s1
InChIKeyKOCLEEJVSHTNRB-IBGZPJMESA-N
MW395.50 g/mol
LogP2.89
Rot. Bonds7

About 4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide

4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 42292182) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide
PubChem CID42292182
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(OC2CCN(C[C@@H]3CCOC3)CC2)cc1
InChIInChI=1S/C23H29N3O3/c27-23(25-15-18-5-10-24-11-6-18)20-1-3-21(4-2-20)29-22-7-12-26(13-8-22)16-19-9-14-28-17-19/h1-6,10-11,19,22H,7-9,12-17H2,(H,25,27)/t19-/m0/s1
InChIKeyKOCLEEJVSHTNRB-IBGZPJMESA-N
XLogP2.89
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide (CID 42292182) is 4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1ccc(OC2CCN(C[C@@H]3CCOC3)CC2)cc1.
What is the InChIKey of 4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is KOCLEEJVSHTNRB-IBGZPJMESA-N. The full InChI is InChI=1S/C23H29N3O3/c27-23(25-15-18-5-10-24-11-6-18)20-1-3-21(4-2-20)29-22-7-12-26(13-8-22)16-19-9-14-28-17-19/h1-6,10-11,19,22H,7-9,12-17H2,(H,25,27)/t19-/m0/s1.
What are the key properties of 4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide?
4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 395.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 42292182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).