1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea

C16H26N4O — CID 83017066

IUPAC1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea
SMILESCCNC(C)c1cccc(NC(=O)NN2CCCCC2)c1
InChIInChI=1S/C16H26N4O/c1-3-17-13(2)14-8-7-9-15(12-14)18-16(21)19-20-10-5-4-6-11-20/h7-9,12-13,17H,3-6,10-11H2,1-2H3,(H2,18,19,21)
InChIKeyZJFHCMAFTKRUEM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.88
Rot. Bonds5

About 1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea

1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea (PubChem CID 83017066) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea.

Molecular Properties

Compound Name1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea
PubChem CID83017066
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea
SMILESCCNC(C)c1cccc(NC(=O)NN2CCCCC2)c1
InChIInChI=1S/C16H26N4O/c1-3-17-13(2)14-8-7-9-15(12-14)18-16(21)19-20-10-5-4-6-11-20/h7-9,12-13,17H,3-6,10-11H2,1-2H3,(H2,18,19,21)
InChIKeyZJFHCMAFTKRUEM-UHFFFAOYSA-N
XLogP2.88
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea
CID 61340352
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide
CID 61339628
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea
CID 61465218
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]-N-methylpropanamide
CID 61466725
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61339992
1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea
CID 63995585
2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
CID 61340887
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-yl)urea
CID 63564699
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea
CID 63227876
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea
CID 61341839

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea?
The IUPAC name of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea (CID 83017066) is 1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea.
What is the SMILES notation for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea?
The canonical SMILES for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea is CCNC(C)c1cccc(NC(=O)NN2CCCCC2)c1.
What is the InChIKey of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea?
The InChIKey is ZJFHCMAFTKRUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-17-13(2)14-8-7-9-15(12-14)18-16(21)19-20-10-5-4-6-11-20/h7-9,12-13,17H,3-6,10-11H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea?
1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea has a molecular weight of 290.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea is sourced from PubChem (CID 83017066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).