N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide

C21H33N3O — CID 154801347

IUPACN-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide
SMILESCCN1CCCCC1C(=O)NC(C)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H33N3O/c1-3-24-13-8-7-11-20(24)21(25)22-17(2)19-12-14-23(16-19)15-18-9-5-4-6-10-18/h4-6,9-10,17,19-20H,3,7-8,11-16H2,1-2H3,(H,22,25)
InChIKeyOCSIVKCEXIXDKV-UHFFFAOYSA-N
MW343.51 g/mol
LogP2.89
Rot. Bonds6

About N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide

N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide (PubChem CID 154801347) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide
PubChem CID154801347
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC NameN-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide
SMILESCCN1CCCCC1C(=O)NC(C)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H33N3O/c1-3-24-13-8-7-11-20(24)21(25)22-17(2)19-12-14-23(16-19)15-18-9-5-4-6-10-18/h4-6,9-10,17,19-20H,3,7-8,11-16H2,1-2H3,(H,22,25)
InChIKeyOCSIVKCEXIXDKV-UHFFFAOYSA-N
XLogP2.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1,3-dithiolane-2-carboxamide
CID 125137166
N-[1-(1-benzylpiperidin-3-yl)ethyl]acetamide
CID 21041194
1-(1-benzylpyrrolidin-3-yl)ethylthiourea
CID 131219663
N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
CID 124887071
(2S)-1-benzyl-N-[(1S)-1-cyanoethyl]piperidine-2-carboxamide
CID 124607982
1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 110904280
N-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine
CID 125137183
N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75448758
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
(2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 97006888
N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 125137212

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide?
The IUPAC name of N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide (CID 154801347) is N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide is CCN1CCCCC1C(=O)NC(C)C1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide?
The InChIKey is OCSIVKCEXIXDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-3-24-13-8-7-11-20(24)21(25)22-17(2)19-12-14-23(16-19)15-18-9-5-4-6-10-18/h4-6,9-10,17,19-20H,3,7-8,11-16H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide?
N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide has a molecular weight of 343.51 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide is sourced from PubChem (CID 154801347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).