3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide

C20H29N3O2 — CID 95711699

IUPAC3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(C[C@@H]2CCN(C(=O)CN3CCCCCC3)C2)c1
InChIInChI=1S/C20H29N3O2/c21-20(25)18-7-5-6-16(13-18)12-17-8-11-23(14-17)19(24)15-22-9-3-1-2-4-10-22/h5-7,13,17H,1-4,8-12,14-15H2,(H2,21,25)/t17-/m0/s1
InChIKeySRZOLRJMMMGKJR-KRWDZBQOSA-N
MW343.47 g/mol
LogP2.05
Rot. Bonds5

About 3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide

3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide (PubChem CID 95711699) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
PubChem CID95711699
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(C[C@@H]2CCN(C(=O)CN3CCCCCC3)C2)c1
InChIInChI=1S/C20H29N3O2/c21-20(25)18-7-5-6-16(13-18)12-17-8-11-23(14-17)19(24)15-22-9-3-1-2-4-10-22/h5-7,13,17H,1-4,8-12,14-15H2,(H2,21,25)/t17-/m0/s1
InChIKeySRZOLRJMMMGKJR-KRWDZBQOSA-N
XLogP2.05
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[[(3S)-1-[2-(2,3-dimethylphenoxy)acetyl]pyrrolidin-3-yl]methyl]benzamide
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3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide (CID 95711699) is 3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide is NC(=O)c1cccc(C[C@@H]2CCN(C(=O)CN3CCCCCC3)C2)c1.
What is the InChIKey of 3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is SRZOLRJMMMGKJR-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O2/c21-20(25)18-7-5-6-16(13-18)12-17-8-11-23(14-17)19(24)15-22-9-3-1-2-4-10-22/h5-7,13,17H,1-4,8-12,14-15H2,(H2,21,25)/t17-/m0/s1.
What are the key properties of 3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide?
3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 343.47 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95711699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).