N-(2-cyanophenyl)-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]propanamide

C21H30N4O2 — CID 71852325

IUPACN-(2-cyanophenyl)-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N1CCC(OCCN2CCCCC2)C1
InChIInChI=1S/C21H30N4O2/c1-17(21(26)23-20-8-4-3-7-18(20)15-22)25-12-9-19(16-25)27-14-13-24-10-5-2-6-11-24/h3-4,7-8,17,19H,2,5-6,9-14,16H2,1H3,(H,23,26)
InChIKeyVGTPLZNXXXUSLG-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.46
Rot. Bonds7

About N-(2-cyanophenyl)-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]propanamide

N-(2-cyanophenyl)-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]propanamide (PubChem CID 71852325) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]propanamide
PubChem CID71852325
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-(2-cyanophenyl)-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N1CCC(OCCN2CCCCC2)C1
InChIInChI=1S/C21H30N4O2/c1-17(21(26)23-20-8-4-3-7-18(20)15-22)25-12-9-19(16-25)27-14-13-24-10-5-2-6-11-24/h3-4,7-8,17,19H,2,5-6,9-14,16H2,1H3,(H,23,26)
InChIKeyVGTPLZNXXXUSLG-UHFFFAOYSA-N
XLogP2.46
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-cyanophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
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(2R)-N-(2-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]propanamide (CID 71852325) is N-(2-cyanophenyl)-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]propanamide is CC(C(=O)Nc1ccccc1C#N)N1CCC(OCCN2CCCCC2)C1.
What is the InChIKey of N-(2-cyanophenyl)-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]propanamide?
The InChIKey is VGTPLZNXXXUSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-17(21(26)23-20-8-4-3-7-18(20)15-22)25-12-9-19(16-25)27-14-13-24-10-5-2-6-11-24/h3-4,7-8,17,19H,2,5-6,9-14,16H2,1H3,(H,23,26).
What are the key properties of N-(2-cyanophenyl)-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]propanamide?
N-(2-cyanophenyl)-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]propanamide has a molecular weight of 370.50 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 71852325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).