N-(1-hydroxy-3-piperidin-1-ylpropan-2-yl)-4-methyl-1H-pyrrole-3-carboxamide

C14H23N3O2 — CID 126816484

IUPACN-(1-hydroxy-3-piperidin-1-ylpropan-2-yl)-4-methyl-1H-pyrrole-3-carboxamide
SMILESCc1c[nH]cc1C(=O)NC(CO)CN1CCCCC1
InChIInChI=1S/C14H23N3O2/c1-11-7-15-8-13(11)14(19)16-12(10-18)9-17-5-3-2-4-6-17/h7-8,12,15,18H,2-6,9-10H2,1H3,(H,16,19)
InChIKeyGSBPNDDWGYQQHH-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.90
Rot. Bonds5

About N-(1-hydroxy-3-piperidin-1-ylpropan-2-yl)-4-methyl-1H-pyrrole-3-carboxamide

N-(1-hydroxy-3-piperidin-1-ylpropan-2-yl)-4-methyl-1H-pyrrole-3-carboxamide (PubChem CID 126816484) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(1-hydroxy-3-piperidin-1-ylpropan-2-yl)-4-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-piperidin-1-ylpropan-2-yl)-4-methyl-1H-pyrrole-3-carboxamide
PubChem CID126816484
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(1-hydroxy-3-piperidin-1-ylpropan-2-yl)-4-methyl-1H-pyrrole-3-carboxamide
SMILESCc1c[nH]cc1C(=O)NC(CO)CN1CCCCC1
InChIInChI=1S/C14H23N3O2/c1-11-7-15-8-13(11)14(19)16-12(10-18)9-17-5-3-2-4-6-17/h7-8,12,15,18H,2-6,9-10H2,1H3,(H,16,19)
InChIKeyGSBPNDDWGYQQHH-UHFFFAOYSA-N
XLogP0.90
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-piperidin-1-ylpropan-2-yl)-4-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(1-hydroxy-3-piperidin-1-ylpropan-2-yl)-4-methyl-1H-pyrrole-3-carboxamide (CID 126816484) is N-(1-hydroxy-3-piperidin-1-ylpropan-2-yl)-4-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-piperidin-1-ylpropan-2-yl)-4-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-piperidin-1-ylpropan-2-yl)-4-methyl-1H-pyrrole-3-carboxamide is Cc1c[nH]cc1C(=O)NC(CO)CN1CCCCC1.
What is the InChIKey of N-(1-hydroxy-3-piperidin-1-ylpropan-2-yl)-4-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is GSBPNDDWGYQQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-7-15-8-13(11)14(19)16-12(10-18)9-17-5-3-2-4-6-17/h7-8,12,15,18H,2-6,9-10H2,1H3,(H,16,19).
What are the key properties of N-(1-hydroxy-3-piperidin-1-ylpropan-2-yl)-4-methyl-1H-pyrrole-3-carboxamide?
N-(1-hydroxy-3-piperidin-1-ylpropan-2-yl)-4-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-piperidin-1-ylpropan-2-yl)-4-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 126816484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).