4-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide

C22H35N3O2 — CID 127036359

IUPAC4-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
SMILESCC(C)N1CCC(Oc2ccc(C(=O)NC3CCN(C(C)C)C3)cc2)CC1
InChIInChI=1S/C22H35N3O2/c1-16(2)24-13-10-21(11-14-24)27-20-7-5-18(6-8-20)22(26)23-19-9-12-25(15-19)17(3)4/h5-8,16-17,19,21H,9-15H2,1-4H3,(H,23,26)
InChIKeyMLNZYIQIFPHNKO-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.15
Rot. Bonds6

About 4-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide

4-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide (PubChem CID 127036359) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 4-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
PubChem CID127036359
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name4-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
SMILESCC(C)N1CCC(Oc2ccc(C(=O)NC3CCN(C(C)C)C3)cc2)CC1
InChIInChI=1S/C22H35N3O2/c1-16(2)24-13-10-21(11-14-24)27-20-7-5-18(6-8-20)22(26)23-19-9-12-25(15-19)17(3)4/h5-8,16-17,19,21H,9-15H2,1-4H3,(H,23,26)
InChIKeyMLNZYIQIFPHNKO-UHFFFAOYSA-N
XLogP3.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide?
The IUPAC name of 4-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide (CID 127036359) is 4-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide is CC(C)N1CCC(Oc2ccc(C(=O)NC3CCN(C(C)C)C3)cc2)CC1.
What is the InChIKey of 4-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide?
The InChIKey is MLNZYIQIFPHNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-16(2)24-13-10-21(11-14-24)27-20-7-5-18(6-8-20)22(26)23-19-9-12-25(15-19)17(3)4/h5-8,16-17,19,21H,9-15H2,1-4H3,(H,23,26).
What are the key properties of 4-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide?
4-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide has a molecular weight of 373.54 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 127036359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).