2-[(2R)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-carbamoylacetamide

C19H28N4O2 — CID 124838805

IUPAC2-[(2R)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CN1CCC[C@@H]1[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H28N4O2/c20-19(25)21-18(24)14-23-11-5-9-17(23)16-8-4-10-22(13-16)12-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H3,20,21,24,25)/t16-,17+/m0/s1
InChIKeyONWDBBYWDFZNKM-DLBZAZTESA-N
MW344.46 g/mol
LogP1.56
Rot. Bonds5

About 2-[(2R)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-carbamoylacetamide

2-[(2R)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-carbamoylacetamide (PubChem CID 124838805) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[(2R)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[(2R)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-carbamoylacetamide
PubChem CID124838805
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[(2R)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CN1CCC[C@@H]1[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H28N4O2/c20-19(25)21-18(24)14-23-11-5-9-17(23)16-8-4-10-22(13-16)12-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H3,20,21,24,25)/t16-,17+/m0/s1
InChIKeyONWDBBYWDFZNKM-DLBZAZTESA-N
XLogP1.56
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 124732613
2-[(2S)-2-[(3R)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
CID 52538581
2-[2-(1-benzylpiperidin-3-yl)pyrrolidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
CID 47084616
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide
CID 11930936
N-carbamoyl-2-(2-piperidin-4-ylpyrrolidin-1-yl)acetamide
CID 66273874
3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide
CID 134033685
(4aR,7aR)-6-benzyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxylic acid
CID 69031679
2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid
CID 81358703
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
(2S)-1-[(4aR,8aR)-1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-aminopropan-1-one
CID 124593091

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-carbamoylacetamide?
The IUPAC name of 2-[(2R)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-carbamoylacetamide (CID 124838805) is 2-[(2R)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-carbamoylacetamide.
What is the SMILES notation for 2-[(2R)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-carbamoylacetamide?
The canonical SMILES for 2-[(2R)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-carbamoylacetamide is NC(=O)NC(=O)CN1CCC[C@@H]1[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[(2R)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-carbamoylacetamide?
The InChIKey is ONWDBBYWDFZNKM-DLBZAZTESA-N. The full InChI is InChI=1S/C19H28N4O2/c20-19(25)21-18(24)14-23-11-5-9-17(23)16-8-4-10-22(13-16)12-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H3,20,21,24,25)/t16-,17+/m0/s1.
What are the key properties of 2-[(2R)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-carbamoylacetamide?
2-[(2R)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-carbamoylacetamide has a molecular weight of 344.46 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-carbamoylacetamide is sourced from PubChem (CID 124838805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).