[1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea

C13H17ClN4O2 — CID 61053200

IUPAC[1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)c2cc(Cl)ccn2)C1
InChIInChI=1S/C13H17ClN4O2/c14-10-3-4-16-11(6-10)12(19)18-5-1-2-9(8-18)7-17-13(15)20/h3-4,6,9H,1-2,5,7-8H2,(H3,15,17,20)
InChIKeyVDXKLCYPKSIISV-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.26
Rot. Bonds3

About [1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea

[1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea (PubChem CID 61053200) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is [1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea.

Molecular Properties

Compound Name[1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea
PubChem CID61053200
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name[1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)c2cc(Cl)ccn2)C1
InChIInChI=1S/C13H17ClN4O2/c14-10-3-4-16-11(6-10)12(19)18-5-1-2-9(8-18)7-17-13(15)20/h3-4,6,9H,1-2,5,7-8H2,(H3,15,17,20)
InChIKeyVDXKLCYPKSIISV-UHFFFAOYSA-N
XLogP1.26
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea
CID 61053733
[1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea
CID 61109976
[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea
CID 55142865
[1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 81317323
(3R)-1-(4-chloropyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 81118172
[1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea
CID 106993329
[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methylurea
CID 61109975
[1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea
CID 63978957
[1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methylurea
CID 66388331
2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid
CID 64603963
[1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea
CID 107074607
(3S)-3-[(carbamoylamino)methyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-1-carboxamide
CID 95761695

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea?
The IUPAC name of [1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea (CID 61053200) is [1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea.
What is the SMILES notation for [1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea?
The canonical SMILES for [1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea is NC(=O)NCC1CCCN(C(=O)c2cc(Cl)ccn2)C1.
What is the InChIKey of [1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea?
The InChIKey is VDXKLCYPKSIISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c14-10-3-4-16-11(6-10)12(19)18-5-1-2-9(8-18)7-17-13(15)20/h3-4,6,9H,1-2,5,7-8H2,(H3,15,17,20).
What are the key properties of [1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea?
[1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea has a molecular weight of 296.76 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea is sourced from PubChem (CID 61053200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).