2-[(2S)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide

C21H32N4O2 — CID 124732613

IUPAC2-[(2S)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN1CCC[C@H]1[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H32N4O2/c1-2-22-21(27)23-20(26)16-25-13-7-11-19(25)18-10-6-12-24(15-18)14-17-8-4-3-5-9-17/h3-5,8-9,18-19H,2,6-7,10-16H2,1H3,(H2,22,23,26,27)/t18-,19-/m0/s1
InChIKeyJTQHDTLCGPXOBN-OALUTQOASA-N
MW372.51 g/mol
LogP2.21
Rot. Bonds6

About 2-[(2S)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide

2-[(2S)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide (PubChem CID 124732613) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[(2S)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide
PubChem CID124732613
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name2-[(2S)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN1CCC[C@H]1[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H32N4O2/c1-2-22-21(27)23-20(26)16-25-13-7-11-19(25)18-10-6-12-24(15-18)14-17-8-4-3-5-9-17/h3-5,8-9,18-19H,2,6-7,10-16H2,1H3,(H2,22,23,26,27)/t18-,19-/m0/s1
InChIKeyJTQHDTLCGPXOBN-OALUTQOASA-N
XLogP2.21
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-carbamoylacetamide
CID 124838805
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
benzyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 56804335
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide
CID 11930936
2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 18137773
N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 47104744
N-benzyl-1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 26653754
2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 30640890
(4aR,7aR)-6-benzyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxylic acid
CID 69031679
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[(2S)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide (CID 124732613) is 2-[(2S)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2S)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CN1CCC[C@H]1[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[(2S)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide?
The InChIKey is JTQHDTLCGPXOBN-OALUTQOASA-N. The full InChI is InChI=1S/C21H32N4O2/c1-2-22-21(27)23-20(26)16-25-13-7-11-19(25)18-10-6-12-24(15-18)14-17-8-4-3-5-9-17/h3-5,8-9,18-19H,2,6-7,10-16H2,1H3,(H2,22,23,26,27)/t18-,19-/m0/s1.
What are the key properties of 2-[(2S)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide?
2-[(2S)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide has a molecular weight of 372.51 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 124732613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).