[4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea

C16H26N4O — CID 43744846

IUPAC[4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea
SMILESCCN1CCCC(C(C)Nc2ccc(NC(N)=O)cc2)C1
InChIInChI=1S/C16H26N4O/c1-3-20-10-4-5-13(11-20)12(2)18-14-6-8-15(9-7-14)19-16(17)21/h6-9,12-13,18H,3-5,10-11H2,1-2H3,(H3,17,19,21)
InChIKeyMAWMVKUUASXNIA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.71
Rot. Bonds5

About [4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea

[4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea (PubChem CID 43744846) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea.

Molecular Properties

Compound Name[4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea
PubChem CID43744846
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea
SMILESCCN1CCCC(C(C)Nc2ccc(NC(N)=O)cc2)C1
InChIInChI=1S/C16H26N4O/c1-3-20-10-4-5-13(11-20)12(2)18-14-6-8-15(9-7-14)19-16(17)21/h6-9,12-13,18H,3-5,10-11H2,1-2H3,(H3,17,19,21)
InChIKeyMAWMVKUUASXNIA-UHFFFAOYSA-N
XLogP2.71
TPSA70.39 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 ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
CID 43307715
4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile
CID 43307943
N-[3-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]acetamide
CID 43307791
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43307675
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline
CID 43307811
5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one
CID 60942690
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline
CID 62810700
4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308678
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline
CID 43307671
2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol
CID 61237330
3-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-hydroxypropanamide
CID 114153668
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline
CID 43307335

Frequently Asked Questions

What is the IUPAC name of [4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea?
The IUPAC name of [4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea (CID 43744846) is [4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea.
What is the SMILES notation for [4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea?
The canonical SMILES for [4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea is CCN1CCCC(C(C)Nc2ccc(NC(N)=O)cc2)C1.
What is the InChIKey of [4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea?
The InChIKey is MAWMVKUUASXNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-20-10-4-5-13(11-20)12(2)18-14-6-8-15(9-7-14)19-16(17)21/h6-9,12-13,18H,3-5,10-11H2,1-2H3,(H3,17,19,21).
What are the key properties of [4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea?
[4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea has a molecular weight of 290.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea is sourced from PubChem (CID 43744846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).