4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide

C19H28N4O2 — CID 95775396

IUPAC4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCN2CCC[C@@H](N3CCCC3)C2)cc1
InChIInChI=1S/C19H28N4O2/c20-19(25)15-5-7-16(8-6-15)21-18(24)9-13-22-10-3-4-17(14-22)23-11-1-2-12-23/h5-8,17H,1-4,9-14H2,(H2,20,25)(H,21,24)/t17-/m1/s1
InChIKeyBBTPLYYHJBIUQY-QGZVFWFLSA-N
MW344.46 g/mol
LogP1.67
Rot. Bonds6

About 4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide

4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide (PubChem CID 95775396) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide
PubChem CID95775396
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCN2CCC[C@@H](N3CCCC3)C2)cc1
InChIInChI=1S/C19H28N4O2/c20-19(25)15-5-7-16(8-6-15)21-18(24)9-13-22-10-3-4-17(14-22)23-11-1-2-12-23/h5-8,17H,1-4,9-14H2,(H2,20,25)(H,21,24)/t17-/m1/s1
InChIKeyBBTPLYYHJBIUQY-QGZVFWFLSA-N
XLogP1.67
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
CID 110688218
4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide
CID 95299028
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)butanamide;dihydrochloride
CID 139945202
1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119909344
1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026144
N-(4-acetylphenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 119919130
3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide
CID 86928095
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
4-[3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoylamino]benzamide
CID 2710787
N-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 37210805
3-[(3R)-3-aminopiperidin-1-yl]-N-(4-cyanophenyl)propanamide
CID 102985639
N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 155569851

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide?
The IUPAC name of 4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide (CID 95775396) is 4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide is NC(=O)c1ccc(NC(=O)CCN2CCC[C@@H](N3CCCC3)C2)cc1.
What is the InChIKey of 4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide?
The InChIKey is BBTPLYYHJBIUQY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N4O2/c20-19(25)15-5-7-16(8-6-15)21-18(24)9-13-22-10-3-4-17(14-22)23-11-1-2-12-23/h5-8,17H,1-4,9-14H2,(H2,20,25)(H,21,24)/t17-/m1/s1.
What are the key properties of 4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide?
4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide has a molecular weight of 344.46 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide is sourced from PubChem (CID 95775396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).