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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Related Compounds

N-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42198673
4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide
CID 25299380
3-chloro-N-(2-methoxyethyl)-4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxybenzamide
CID 25461070
3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
CID 45214832
4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine
CID 131899608
4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 91813626
1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
CID 45226535
4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 45236126
4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 171358976
4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 17398321
4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109044877
N-[(2R)-2-hydroxy-2-(7-hydroxy-3,4-dihydroisoquinolin-3-yl)ethyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 175866501

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).