4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide

C26H34ClN3O4 — CID 167805072

IUPAC4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide
SMILESCCOc1cc(CNc2cc(C(=O)NC(C)C)ccc2Cl)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C26H34ClN3O4/c1-4-33-24-14-19(8-11-23(24)34-17-25(31)30-12-6-5-7-13-30)16-28-22-15-20(9-10-21(22)27)26(32)29-18(2)3/h8-11,14-15,18,28H,4-7,12-13,16-17H2,1-3H3,(H,29,32)
InChIKeyVRYSTNFZVSDSHH-UHFFFAOYSA-N
MW488.03 g/mol
LogP4.88
Rot. Bonds10

About 4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide

4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide (PubChem CID 167805072) has the molecular formula C26H34ClN3O4 and a molecular weight of 488.03 g/mol. Its IUPAC name is 4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide
PubChem CID167805072
Molecular FormulaC26H34ClN3O4
Molecular Weight488.03 g/mol
Exact Mass487.22
IUPAC Name4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide
SMILESCCOc1cc(CNc2cc(C(=O)NC(C)C)ccc2Cl)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C26H34ClN3O4/c1-4-33-24-14-19(8-11-23(24)34-17-25(31)30-12-6-5-7-13-30)16-28-22-15-20(9-10-21(22)27)26(32)29-18(2)3/h8-11,14-15,18,28H,4-7,12-13,16-17H2,1-3H3,(H,29,32)
InChIKeyVRYSTNFZVSDSHH-UHFFFAOYSA-N
XLogP4.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.03
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone
CID 119163603
N-(3-chloro-4-methylphenyl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26087154
3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55724935
2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 28967218
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26102370
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55674381
3,4-dichloro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 60534577
3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55653874
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 41113364
3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 37018852
2-[2-ethoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 47624012

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide (CID 167805072) is 4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide is CCOc1cc(CNc2cc(C(=O)NC(C)C)ccc2Cl)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide?
The InChIKey is VRYSTNFZVSDSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O4/c1-4-33-24-14-19(8-11-23(24)34-17-25(31)30-12-6-5-7-13-30)16-28-22-15-20(9-10-21(22)27)26(32)29-18(2)3/h8-11,14-15,18,28H,4-7,12-13,16-17H2,1-3H3,(H,29,32).
What are the key properties of 4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide?
4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide has a molecular weight of 488.03 g/mol, XLogP of 4.88, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 167805072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).