[1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea

C14H19ClN4O2 — CID 61109976

IUPAC[1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)c2cc(Cl)ccc2N)C1
InChIInChI=1S/C14H19ClN4O2/c15-10-3-4-12(16)11(6-10)13(20)19-5-1-2-9(8-19)7-18-14(17)21/h3-4,6,9H,1-2,5,7-8,16H2,(H3,17,18,21)
InChIKeyBAJKVJMYSKPWTK-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.44
Rot. Bonds3

About [1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea

[1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea (PubChem CID 61109976) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is [1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea.

Molecular Properties

Compound Name[1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea
PubChem CID61109976
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name[1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)c2cc(Cl)ccc2N)C1
InChIInChI=1S/C14H19ClN4O2/c15-10-3-4-12(16)11(6-10)13(20)19-5-1-2-9(8-19)7-18-14(17)21/h3-4,6,9H,1-2,5,7-8,16H2,(H3,17,18,21)
InChIKeyBAJKVJMYSKPWTK-UHFFFAOYSA-N
XLogP1.44
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea
CID 107074607
(2-amino-5-chlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209681
[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methylurea
CID 61109975
[1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 61053200
[1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea
CID 106993329
(2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211689
[1-(2-bromo-5-methylbenzoyl)piperidin-3-yl]methylurea
CID 80973642
[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea
CID 61053733
[1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea
CID 60964314
[3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
CID 120727640
(4-chloro-2-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204723
[3-(2-bromoethyl)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 80668613

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea?
The IUPAC name of [1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea (CID 61109976) is [1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea.
What is the SMILES notation for [1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea?
The canonical SMILES for [1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea is NC(=O)NCC1CCCN(C(=O)c2cc(Cl)ccc2N)C1.
What is the InChIKey of [1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea?
The InChIKey is BAJKVJMYSKPWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c15-10-3-4-12(16)11(6-10)13(20)19-5-1-2-9(8-19)7-18-14(17)21/h3-4,6,9H,1-2,5,7-8,16H2,(H3,17,18,21).
What are the key properties of [1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea?
[1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea has a molecular weight of 310.79 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea is sourced from PubChem (CID 61109976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).