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

C22H27N3O2 — CID 135096933

IUPAC4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H27N3O2/c26-22(18-4-6-20(7-5-18)25-12-2-1-3-13-25)24-21-16-27-15-19(21)14-17-8-10-23-11-9-17/h4-11,19,21H,1-3,12-16H2,(H,24,26)/t19-,21-/m1/s1
InChIKeyRVQDMOQFRYFKGK-TZIWHRDSSA-N
MW365.48 g/mol
LogP3.06
Rot. Bonds5

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

4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (PubChem CID 135096933) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.

Molecular Properties

Compound Name4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
PubChem CID135096933
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H27N3O2/c26-22(18-4-6-20(7-5-18)25-12-2-1-3-13-25)24-21-16-27-15-19(21)14-17-8-10-23-11-9-17/h4-11,19,21H,1-3,12-16H2,(H,24,26)/t19-,21-/m1/s1
InChIKeyRVQDMOQFRYFKGK-TZIWHRDSSA-N
XLogP3.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 135114938
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
2-oxo-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-pyrrolidin-1-ylacetamide
CID 135094092
2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705560
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclopentanecarboxamide
CID 135107014
piperidin-1-yl-[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]-3-pyridinyl]methanone
CID 135095898
3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134695838
6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide
CID 134695947
3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705516
1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
CID 135107430
1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 134713666
2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134705556

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The IUPAC name of 4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (CID 135096933) is 4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.
What is the SMILES notation for 4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The canonical SMILES for 4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The InChIKey is RVQDMOQFRYFKGK-TZIWHRDSSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-22(18-4-6-20(7-5-18)25-12-2-1-3-13-25)24-21-16-27-15-19(21)14-17-8-10-23-11-9-17/h4-11,19,21H,1-3,12-16H2,(H,24,26)/t19-,21-/m1/s1.
What are the key properties of 4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is sourced from PubChem (CID 135096933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).