(2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide

C18H30N4O2+2 — CID 8774135

IUPAC(2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide
SMILESCC(C)NC(=O)C[NH+]1CC[NH+]([C@H](C)C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-14(2)19-17(23)13-21-9-11-22(12-10-21)15(3)18(24)20-16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,19,23)(H,20,24)/p+2/t15-/m1/s1
InChIKeyHCZUCIZCDYQAKK-OAHLLOKOSA-P
MW334.46 g/mol
LogP-1.68
Rot. Bonds6

About (2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide

(2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide (PubChem CID 8774135) has the molecular formula C18H30N4O2+2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide
PubChem CID8774135
Molecular FormulaC18H30N4O2+2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide
SMILESCC(C)NC(=O)C[NH+]1CC[NH+]([C@H](C)C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-14(2)19-17(23)13-21-9-11-22(12-10-21)15(3)18(24)20-16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,19,23)(H,20,24)/p+2/t15-/m1/s1
InChIKeyHCZUCIZCDYQAKK-OAHLLOKOSA-P
XLogP-1.68
TPSA67.08 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774085
(2R)-N-(4-ethylphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]propanamide
CID 8774033
(2S)-N-(3-chlorophenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]propanamide
CID 8774021
(2S)-2-[4-[2-(butylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide
CID 8774423
(2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide
CID 7999786
(2S)-N-(4-chlorophenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]propanamide
CID 8774553
(2S)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide
CID 9268351
(2S)-N-(4-chlorophenyl)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]propanamide
CID 9435995
(2R)-N-(3-cyanophenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]propanamide
CID 9170643
(2S)-N-(4-bromophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]propanamide
CID 8774303
(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774331
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 43401445

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide?
The IUPAC name of (2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide (CID 8774135) is (2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide is CC(C)NC(=O)C[NH+]1CC[NH+]([C@H](C)C(=O)Nc2ccccc2)CC1.
What is the InChIKey of (2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide?
The InChIKey is HCZUCIZCDYQAKK-OAHLLOKOSA-P. The full InChI is InChI=1S/C18H28N4O2/c1-14(2)19-17(23)13-21-9-11-22(12-10-21)15(3)18(24)20-16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,19,23)(H,20,24)/p+2/t15-/m1/s1.
What are the key properties of (2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide?
(2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide has a molecular weight of 334.46 g/mol, XLogP of -1.68, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 8774135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).