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

C20H29N3O2 — CID 95728061

IUPAC3-[[(3R)-1-[2-[cyclopentyl(methyl)amino]acetyl]pyrrolidin-3-yl]methyl]benzamide
SMILESCN(CC(=O)N1CC[C@@H](Cc2cccc(C(N)=O)c2)C1)C1CCCC1
InChIInChI=1S/C20H29N3O2/c1-22(18-7-2-3-8-18)14-19(24)23-10-9-16(13-23)11-15-5-4-6-17(12-15)20(21)25/h4-6,12,16,18H,2-3,7-11,13-14H2,1H3,(H2,21,25)/t16-/m0/s1
InChIKeyWASFACJXHJEZIC-INIZCTEOSA-N
MW343.47 g/mol
LogP2.05
Rot. Bonds6

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

3-[[(3R)-1-[2-[cyclopentyl(methyl)amino]acetyl]pyrrolidin-3-yl]methyl]benzamide (PubChem CID 95728061) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-[[(3R)-1-[2-[cyclopentyl(methyl)amino]acetyl]pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[(3R)-1-[2-[cyclopentyl(methyl)amino]acetyl]pyrrolidin-3-yl]methyl]benzamide
PubChem CID95728061
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-[[(3R)-1-[2-[cyclopentyl(methyl)amino]acetyl]pyrrolidin-3-yl]methyl]benzamide
SMILESCN(CC(=O)N1CC[C@@H](Cc2cccc(C(N)=O)c2)C1)C1CCCC1
InChIInChI=1S/C20H29N3O2/c1-22(18-7-2-3-8-18)14-19(24)23-10-9-16(13-23)11-15-5-4-6-17(12-15)20(21)25/h4-6,12,16,18H,2-3,7-11,13-14H2,1H3,(H2,21,25)/t16-/m0/s1
InChIKeyWASFACJXHJEZIC-INIZCTEOSA-N
XLogP2.05
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[(1-butanoylpyrrolidin-3-yl)methyl]benzoic acid
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3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-1-[2-[cyclopentyl(methyl)amino]acetyl]pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-[[(3R)-1-[2-[cyclopentyl(methyl)amino]acetyl]pyrrolidin-3-yl]methyl]benzamide (CID 95728061) is 3-[[(3R)-1-[2-[cyclopentyl(methyl)amino]acetyl]pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-[[(3R)-1-[2-[cyclopentyl(methyl)amino]acetyl]pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-[[(3R)-1-[2-[cyclopentyl(methyl)amino]acetyl]pyrrolidin-3-yl]methyl]benzamide is CN(CC(=O)N1CC[C@@H](Cc2cccc(C(N)=O)c2)C1)C1CCCC1.
What is the InChIKey of 3-[[(3R)-1-[2-[cyclopentyl(methyl)amino]acetyl]pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is WASFACJXHJEZIC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-22(18-7-2-3-8-18)14-19(24)23-10-9-16(13-23)11-15-5-4-6-17(12-15)20(21)25/h4-6,12,16,18H,2-3,7-11,13-14H2,1H3,(H2,21,25)/t16-/m0/s1.
What are the key properties of 3-[[(3R)-1-[2-[cyclopentyl(methyl)amino]acetyl]pyrrolidin-3-yl]methyl]benzamide?
3-[[(3R)-1-[2-[cyclopentyl(methyl)amino]acetyl]pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 343.47 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-1-[2-[cyclopentyl(methyl)amino]acetyl]pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95728061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).