(2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

C20H30N4O3 — CID 9249455

IUPAC(2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN([C@H](C)C(=O)NC(=O)NC2CCCC2)CC1
InChIInChI=1S/C20H30N4O3/c1-15(19(25)22-20(26)21-16-7-3-4-8-16)23-11-13-24(14-12-23)17-9-5-6-10-18(17)27-2/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3,(H2,21,22,25,26)/t15-/m1/s1
InChIKeyKESSFWBYIYTGDF-OAHLLOKOSA-N
MW374.49 g/mol
LogP1.97
Rot. Bonds5

About (2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

(2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 9249455) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is (2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID9249455
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name(2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN([C@H](C)C(=O)NC(=O)NC2CCCC2)CC1
InChIInChI=1S/C20H30N4O3/c1-15(19(25)22-20(26)21-16-7-3-4-8-16)23-11-13-24(14-12-23)17-9-5-6-10-18(17)27-2/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3,(H2,21,22,25,26)/t15-/m1/s1
InChIKeyKESSFWBYIYTGDF-OAHLLOKOSA-N
XLogP1.97
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (CID 9249455) is (2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccccc1N1CCN([C@H](C)C(=O)NC(=O)NC2CCCC2)CC1.
What is the InChIKey of (2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is KESSFWBYIYTGDF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-15(19(25)22-20(26)21-16-7-3-4-8-16)23-11-13-24(14-12-23)17-9-5-6-10-18(17)27-2/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3,(H2,21,22,25,26)/t15-/m1/s1.
What are the key properties of (2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
(2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 374.49 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 9249455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).