(2R)-N-(ethylcarbamoyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide

C18H33N5O3 — CID 36900917

IUPAC(2R)-N-(ethylcarbamoyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCCNC(=O)NC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1
InChIInChI=1S/C18H33N5O3/c1-4-19-18(26)20-17(25)15(3)22-11-9-21(10-12-22)13-16(24)23-8-6-5-7-14(23)2/h14-15H,4-13H2,1-3H3,(H2,19,20,25,26)/t14-,15+/m0/s1
InChIKeyWVCHUJUDLDVXCR-LSDHHAIUSA-N
MW367.49 g/mol
LogP0.24
Rot. Bonds5

About (2R)-N-(ethylcarbamoyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide

(2R)-N-(ethylcarbamoyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 36900917) has the molecular formula C18H33N5O3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2R)-N-(ethylcarbamoyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(ethylcarbamoyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID36900917
Molecular FormulaC18H33N5O3
Molecular Weight367.49 g/mol
Exact Mass367.26
IUPAC Name(2R)-N-(ethylcarbamoyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCCNC(=O)NC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1
InChIInChI=1S/C18H33N5O3/c1-4-19-18(26)20-17(25)15(3)22-11-9-21(10-12-22)13-16(24)23-8-6-5-7-14(23)2/h14-15H,4-13H2,1-3H3,(H2,19,20,25,26)/t14-,15+/m0/s1
InChIKeyWVCHUJUDLDVXCR-LSDHHAIUSA-N
XLogP0.24
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(ethylcarbamoyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(ethylcarbamoyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide (CID 36900917) is (2R)-N-(ethylcarbamoyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(ethylcarbamoyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(ethylcarbamoyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide is CCNC(=O)NC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1.
What is the InChIKey of (2R)-N-(ethylcarbamoyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is WVCHUJUDLDVXCR-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H33N5O3/c1-4-19-18(26)20-17(25)15(3)22-11-9-21(10-12-22)13-16(24)23-8-6-5-7-14(23)2/h14-15H,4-13H2,1-3H3,(H2,19,20,25,26)/t14-,15+/m0/s1.
What are the key properties of (2R)-N-(ethylcarbamoyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide?
(2R)-N-(ethylcarbamoyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 367.49 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(ethylcarbamoyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 36900917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).