[4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea

C15H24N4O — CID 80554120

IUPAC[4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea
SMILESCC(NCC1CCCNC1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H24N4O/c1-11(18-10-12-3-2-8-17-9-12)13-4-6-14(7-5-13)19-15(16)20/h4-7,11-12,17-18H,2-3,8-10H2,1H3,(H3,16,19,20)
InChIKeyZWLOYMYQJKFUAF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.83
Rot. Bonds5

About [4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea

[4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea (PubChem CID 80554120) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea
PubChem CID80554120
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea
SMILESCC(NCC1CCCNC1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H24N4O/c1-11(18-10-12-3-2-8-17-9-12)13-4-6-14(7-5-13)19-15(16)20/h4-7,11-12,17-18H,2-3,8-10H2,1H3,(H3,16,19,20)
InChIKeyZWLOYMYQJKFUAF-UHFFFAOYSA-N
XLogP1.83
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240
(1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 81349439
(3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide
CID 81118919
[4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea
CID 79731111
N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 80554145
methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate
CID 80554034
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide
CID 94066099
[4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea
CID 79538316
methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate
CID 80555688
tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate
CID 107253394
N-[(1S)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 81356926
[4-[1-(2-methylsulfanylpropylamino)ethyl]phenyl]urea
CID 113349040

Frequently Asked Questions

What is the IUPAC name of [4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea?
The IUPAC name of [4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea (CID 80554120) is [4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea?
The canonical SMILES for [4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea is CC(NCC1CCCNC1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea?
The InChIKey is ZWLOYMYQJKFUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(18-10-12-3-2-8-17-9-12)13-4-6-14(7-5-13)19-15(16)20/h4-7,11-12,17-18H,2-3,8-10H2,1H3,(H3,16,19,20).
What are the key properties of [4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea?
[4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea has a molecular weight of 276.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea is sourced from PubChem (CID 80554120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).