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

C13H21N5O — CID 83110952

IUPAC2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethylurea
SMILESNC(=O)NCCNC1CCN(c2ccncc2)CC1
InChIInChI=1S/C13H21N5O/c14-13(19)17-8-7-16-11-3-9-18(10-4-11)12-1-5-15-6-2-12/h1-2,5-6,11,16H,3-4,7-10H2,(H3,14,17,19)
InChIKeyPSQIMSKXXVCZSP-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.31
Rot. Bonds5

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

2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethylurea (PubChem CID 83110952) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethylurea
PubChem CID83110952
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethylurea
SMILESNC(=O)NCCNC1CCN(c2ccncc2)CC1
InChIInChI=1S/C13H21N5O/c14-13(19)17-8-7-16-11-3-9-18(10-4-11)12-1-5-15-6-2-12/h1-2,5-6,11,16H,3-4,7-10H2,(H3,14,17,19)
InChIKeyPSQIMSKXXVCZSP-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

2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl carbamate
CID 83210815
2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea
CID 83111405
N'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine
CID 60895619
N-(cyclopropylmethyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166652
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
N-(3-ethoxypropyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166978
N'-ethyl-N'-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)ethane-1,2-diamine
CID 55097459
N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 103775963
2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol
CID 65034705
N-[2-(1H-imidazol-5-yl)ethyl]-1-pyridin-4-ylpiperidin-4-amine
CID 65231968
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
N-[(2-methylcyclopropyl)methyl]-1-pyridin-4-ylpiperidin-4-amine
CID 113463722

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethylurea?
The IUPAC name of 2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethylurea (CID 83110952) is 2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethylurea.
What is the SMILES notation for 2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethylurea?
The canonical SMILES for 2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethylurea is NC(=O)NCCNC1CCN(c2ccncc2)CC1.
What is the InChIKey of 2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethylurea?
The InChIKey is PSQIMSKXXVCZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c14-13(19)17-8-7-16-11-3-9-18(10-4-11)12-1-5-15-6-2-12/h1-2,5-6,11,16H,3-4,7-10H2,(H3,14,17,19).
What are the key properties of 2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethylurea?
2-[(1-pyridin-4-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-4-ylpiperidin-4-yl)amino]ethylurea is sourced from PubChem (CID 83110952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).