(4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone

C10H15N3O2 — CID 43642092

IUPAC(4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESNc1c[nH]c(C(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C10H15N3O2/c11-7-5-9(12-6-7)10(15)13-3-1-8(14)2-4-13/h5-6,8,12,14H,1-4,11H2
InChIKeyBFUDKKHYOIQWQK-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.19
Rot. Bonds1

About (4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone

(4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 43642092) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID43642092
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESNc1c[nH]c(C(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C10H15N3O2/c11-7-5-9(12-6-7)10(15)13-3-1-8(14)2-4-13/h5-6,8,12,14H,1-4,11H2
InChIKeyBFUDKKHYOIQWQK-UHFFFAOYSA-N
XLogP0.19
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 43642092) is (4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone is Nc1c[nH]c(C(=O)N2CCC(O)CC2)c1.
What is the InChIKey of (4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is BFUDKKHYOIQWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-7-5-9(12-6-7)10(15)13-3-1-8(14)2-4-13/h5-6,8,12,14H,1-4,11H2.
What are the key properties of (4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
(4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 209.25 g/mol, XLogP of 0.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43642092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).