4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide

C24H33N3O4 — CID 45231940

IUPAC4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide
SMILESCOc1ccc(C(=O)NCC(C)Oc2cccnc2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C24H33N3O4/c1-17(2)27-12-9-20(10-13-27)31-23-14-19(7-8-22(23)29-4)24(28)26-15-18(3)30-21-6-5-11-25-16-21/h5-8,11,14,16-18,20H,9-10,12-13,15H2,1-4H3,(H,26,28)
InChIKeyBSZAGKQVZVHTGI-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.54
Rot. Bonds9

About 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide

4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide (PubChem CID 45231940) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide
PubChem CID45231940
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide
SMILESCOc1ccc(C(=O)NCC(C)Oc2cccnc2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C24H33N3O4/c1-17(2)27-12-9-20(10-13-27)31-23-14-19(7-8-22(23)29-4)24(28)26-15-18(3)30-21-6-5-11-25-16-21/h5-8,11,14,16-18,20H,9-10,12-13,15H2,1-4H3,(H,26,28)
InChIKeyBSZAGKQVZVHTGI-UHFFFAOYSA-N
XLogP3.54
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid
CID 117053796
4-methoxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 97280716
N-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 25292140
methyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate
CID 42393723
4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide
CID 90653299
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 97279085
4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 97283103
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide
CID 72928105
3-chloro-N-cyclopentyl-4-[1-[(2R)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 42198239
N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 95130947
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 24791204
4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 24793078

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide?
The IUPAC name of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide (CID 45231940) is 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide.
What is the SMILES notation for 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide?
The canonical SMILES for 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide is COc1ccc(C(=O)NCC(C)Oc2cccnc2)cc1OC1CCN(C(C)C)CC1.
What is the InChIKey of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide?
The InChIKey is BSZAGKQVZVHTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-17(2)27-12-9-20(10-13-27)31-23-14-19(7-8-22(23)29-4)24(28)26-15-18(3)30-21-6-5-11-25-16-21/h5-8,11,14,16-18,20H,9-10,12-13,15H2,1-4H3,(H,26,28).
What are the key properties of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide?
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide has a molecular weight of 427.55 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide is sourced from PubChem (CID 45231940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).