N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1H-pyrrole-3-carboxamide

C15H23N3O2 — CID 91771112

IUPACN-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1H-pyrrole-3-carboxamide
SMILESO=C(NC(C1CCNCC1)C1CC(O)C1)c1cc[nH]c1
InChIInChI=1S/C15H23N3O2/c19-13-7-12(8-13)14(10-1-4-16-5-2-10)18-15(20)11-3-6-17-9-11/h3,6,9-10,12-14,16-17,19H,1-2,4-5,7-8H2,(H,18,20)
InChIKeyXEMICWMQFLFOHI-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.88
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1H-pyrrole-3-carboxamide

N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1H-pyrrole-3-carboxamide (PubChem CID 91771112) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1H-pyrrole-3-carboxamide
PubChem CID91771112
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1H-pyrrole-3-carboxamide
SMILESO=C(NC(C1CCNCC1)C1CC(O)C1)c1cc[nH]c1
InChIInChI=1S/C15H23N3O2/c19-13-7-12(8-13)14(10-1-4-16-5-2-10)18-15(20)11-3-6-17-9-11/h3,6,9-10,12-14,16-17,19H,1-2,4-5,7-8H2,(H,18,20)
InChIKeyXEMICWMQFLFOHI-UHFFFAOYSA-N
XLogP0.88
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1H-pyrrole-3-carboxamide (CID 91771112) is N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1H-pyrrole-3-carboxamide is O=C(NC(C1CCNCC1)C1CC(O)C1)c1cc[nH]c1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1H-pyrrole-3-carboxamide?
The InChIKey is XEMICWMQFLFOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-13-7-12(8-13)14(10-1-4-16-5-2-10)18-15(20)11-3-6-17-9-11/h3,6,9-10,12-14,16-17,19H,1-2,4-5,7-8H2,(H,18,20).
What are the key properties of N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1H-pyrrole-3-carboxamide?
N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.88, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91771112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).