2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea

C13H21N5O — CID 83111405

IUPAC2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea
SMILESNC(=O)NCCNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H21N5O/c14-13(19)17-8-7-15-11-4-9-18(10-5-11)12-3-1-2-6-16-12/h1-3,6,11,15H,4-5,7-10H2,(H3,14,17,19)
InChIKeyVTQHAINSUWSQGA-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.31
Rot. Bonds5

About 2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea

2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea (PubChem CID 83111405) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea
PubChem CID83111405
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea
SMILESNC(=O)NCCNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H21N5O/c14-13(19)17-8-7-15-11-4-9-18(10-5-11)12-3-1-2-6-16-12/h1-3,6,11,15H,4-5,7-10H2,(H3,14,17,19)
InChIKeyVTQHAINSUWSQGA-UHFFFAOYSA-N
XLogP0.31
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115706396
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethylurea
CID 83110952
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318
N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 63983974
3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60842626
N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675357
N',N'-diethyl-N-(1-pyridin-2-ylpiperidin-4-yl)ethane-1,2-diamine
CID 43761755
N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 81338605
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 66387456

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea?
The IUPAC name of 2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea (CID 83111405) is 2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea.
What is the SMILES notation for 2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea?
The canonical SMILES for 2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea is NC(=O)NCCNC1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea?
The InChIKey is VTQHAINSUWSQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c14-13(19)17-8-7-15-11-4-9-18(10-5-11)12-3-1-2-6-16-12/h1-3,6,11,15H,4-5,7-10H2,(H3,14,17,19).
What are the key properties of 2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea?
2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea has a molecular weight of 263.34 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea is sourced from PubChem (CID 83111405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).