1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea

C18H30N4O2 — CID 95635526

IUPAC1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea
SMILESCC[C@H](CCO)NC(=O)Nc1ccccc1N1CCN(CC)CC1
InChIInChI=1S/C18H30N4O2/c1-3-15(9-14-23)19-18(24)20-16-7-5-6-8-17(16)22-12-10-21(4-2)11-13-22/h5-8,15,23H,3-4,9-14H2,1-2H3,(H2,19,20,24)/t15-/m1/s1
InChIKeyPFKUQOBFTFNAFT-OAHLLOKOSA-N
MW334.46 g/mol
LogP2.11
Rot. Bonds7

About 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea

1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea (PubChem CID 95635526) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea
PubChem CID95635526
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea
SMILESCC[C@H](CCO)NC(=O)Nc1ccccc1N1CCN(CC)CC1
InChIInChI=1S/C18H30N4O2/c1-3-15(9-14-23)19-18(24)20-16-7-5-6-8-17(16)22-12-10-21(4-2)11-13-22/h5-8,15,23H,3-4,9-14H2,1-2H3,(H2,19,20,24)/t15-/m1/s1
InChIKeyPFKUQOBFTFNAFT-OAHLLOKOSA-N
XLogP2.11
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3S)-1-hydroxypentan-3-yl]urea
CID 95635525
1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea
CID 108888338
(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901051
1-[1-(4-chlorophenyl)ethyl]-3-[2-(4-ethylpiperazin-1-yl)phenyl]urea
CID 55695945
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 17482833
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 71940469
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea
CID 52541821
2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 39737929
3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 119954238
4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901069
1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea
CID 111453706

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea (CID 95635526) is 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea is CC[C@H](CCO)NC(=O)Nc1ccccc1N1CCN(CC)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea?
The InChIKey is PFKUQOBFTFNAFT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-3-15(9-14-23)19-18(24)20-16-7-5-6-8-17(16)22-12-10-21(4-2)11-13-22/h5-8,15,23H,3-4,9-14H2,1-2H3,(H2,19,20,24)/t15-/m1/s1.
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea?
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea has a molecular weight of 334.46 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea is sourced from PubChem (CID 95635526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).