1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea;hydrochloride

C14H20ClN5O2 — CID 154903001

IUPAC1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea;hydrochloride
SMILESCl.O=C(NCC1(O)CCCNC1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H19N5O2.ClH/c20-13(16-9-14(21)4-1-5-15-8-14)18-11-2-3-12-10(6-11)7-17-19-12;/h2-3,6-7,15,21H,1,4-5,8-9H2,(H,17,19)(H2,16,18,20);1H
InChIKeyKRSDPWHYISVPTG-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.22
Rot. Bonds3

About 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea;hydrochloride

1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea;hydrochloride (PubChem CID 154903001) has the molecular formula C14H20ClN5O2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea;hydrochloride.

Molecular Properties

Compound Name1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea;hydrochloride
PubChem CID154903001
Molecular FormulaC14H20ClN5O2
Molecular Weight325.80 g/mol
Exact Mass325.13
IUPAC Name1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea;hydrochloride
SMILESCl.O=C(NCC1(O)CCCNC1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H19N5O2.ClH/c20-13(16-9-14(21)4-1-5-15-8-14)18-11-2-3-12-10(6-11)7-17-19-12;/h2-3,6-7,15,21H,1,4-5,8-9H2,(H,17,19)(H2,16,18,20);1H
InChIKeyKRSDPWHYISVPTG-UHFFFAOYSA-N
XLogP1.22
TPSA102.07 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea;hydrochloride?
The IUPAC name of 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea;hydrochloride (CID 154903001) is 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea;hydrochloride.
What is the SMILES notation for 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea;hydrochloride?
The canonical SMILES for 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea;hydrochloride is Cl.O=C(NCC1(O)CCCNC1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea;hydrochloride?
The InChIKey is KRSDPWHYISVPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2.ClH/c20-13(16-9-14(21)4-1-5-15-8-14)18-11-2-3-12-10(6-11)7-17-19-12;/h2-3,6-7,15,21H,1,4-5,8-9H2,(H,17,19)(H2,16,18,20);1H.
What are the key properties of 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea;hydrochloride?
1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 1.22, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea;hydrochloride is sourced from PubChem (CID 154903001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).