3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide

C20H31N3O2 — CID 171357990

IUPAC3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide
SMILESCCOc1cc(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)ccc1C
InChIInChI=1S/C20H31N3O2/c1-4-25-19-13-16(6-5-15(19)2)20(24)21-17-7-12-23(14-17)18-8-10-22(3)11-9-18/h5-6,13,17-18H,4,7-12,14H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyNQOKKJBNLRWXJP-KRWDZBQOSA-N
MW345.49 g/mol
LogP2.29
Rot. Bonds5

About 3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide

3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide (PubChem CID 171357990) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide
PubChem CID171357990
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide
SMILESCCOc1cc(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)ccc1C
InChIInChI=1S/C20H31N3O2/c1-4-25-19-13-16(6-5-15(19)2)20(24)21-17-7-12-23(14-17)18-8-10-22(3)11-9-18/h5-6,13,17-18H,4,7-12,14H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyNQOKKJBNLRWXJP-KRWDZBQOSA-N
XLogP2.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide
CID 118711000
1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 56824217
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
8-ethoxy-2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90090277
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide
CID 26409604
ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate
CID 110762169
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylbenzamide
CID 47938718
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703
4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide
CID 43711761
N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide
CID 47938545
N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 138031289

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide (CID 171357990) is 3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide is CCOc1cc(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)ccc1C.
What is the InChIKey of 3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide?
The InChIKey is NQOKKJBNLRWXJP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-4-25-19-13-16(6-5-15(19)2)20(24)21-17-7-12-23(14-17)18-8-10-22(3)11-9-18/h5-6,13,17-18H,4,7-12,14H2,1-3H3,(H,21,24)/t17-/m0/s1.
What are the key properties of 3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide?
3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide has a molecular weight of 345.49 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 171357990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).