(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide

C19H28N4O2 — CID 30739585

IUPAC(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)N2CCN(CC(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C19H28N4O2/c1-14-3-5-17(6-4-14)21-19(25)15(2)23-11-9-22(10-12-23)13-18(24)20-16-7-8-16/h3-6,15-16H,7-13H2,1-2H3,(H,20,24)(H,21,25)/t15-/m0/s1
InChIKeySUDKLIWQNMFWJR-HNNXBMFYSA-N
MW344.46 g/mol
LogP1.22
Rot. Bonds6

About (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide

(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide (PubChem CID 30739585) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide
PubChem CID30739585
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)N2CCN(CC(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C19H28N4O2/c1-14-3-5-17(6-4-14)21-19(25)15(2)23-11-9-22(10-12-23)13-18(24)20-16-7-8-16/h3-6,15-16H,7-13H2,1-2H3,(H,20,24)(H,21,25)/t15-/m0/s1
InChIKeySUDKLIWQNMFWJR-HNNXBMFYSA-N
XLogP1.22
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-bromophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30998316
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 30736100
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide
CID 30740405
N-(3-chlorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 86908959
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 78833853
(2S)-N-(3-chloro-4-cyanophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30956056
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 30736259
(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992
(2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51626907
(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51631928
N-(4-chloro-2-fluorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 45281448
(2R)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774532

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide?
The IUPAC name of (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide (CID 30739585) is (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@H](C)N2CCN(CC(=O)NC3CC3)CC2)cc1.
What is the InChIKey of (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide?
The InChIKey is SUDKLIWQNMFWJR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14-3-5-17(6-4-14)21-19(25)15(2)23-11-9-22(10-12-23)13-18(24)20-16-7-8-16/h3-6,15-16H,7-13H2,1-2H3,(H,20,24)(H,21,25)/t15-/m0/s1.
What are the key properties of (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide?
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide has a molecular weight of 344.46 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 30739585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).