N-(3-morpholin-4-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide

C15H23N3O3 — CID 3732708

IUPACN-(3-morpholin-4-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide
SMILESCCC(=O)c1c[nH]c(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C15H23N3O3/c1-2-14(19)12-10-13(17-11-12)15(20)16-4-3-5-18-6-8-21-9-7-18/h10-11,17H,2-9H2,1H3,(H,16,20)
InChIKeyVBZPSXJJXOAGMZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.06
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide

N-(3-morpholin-4-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide (PubChem CID 3732708) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide
PubChem CID3732708
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide
SMILESCCC(=O)c1c[nH]c(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C15H23N3O3/c1-2-14(19)12-10-13(17-11-12)15(20)16-4-3-5-18-6-8-21-9-7-18/h10-11,17H,2-9H2,1H3,(H,16,20)
InChIKeyVBZPSXJJXOAGMZ-UHFFFAOYSA-N
XLogP1.06
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 125431560
2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide
CID 110467560
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-formamido-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide
CID 170575734
N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261436
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
CID 86915188
3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 17013971
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide (CID 3732708) is N-(3-morpholin-4-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide is CCC(=O)c1c[nH]c(C(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide?
The InChIKey is VBZPSXJJXOAGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-14(19)12-10-13(17-11-12)15(20)16-4-3-5-18-6-8-21-9-7-18/h10-11,17H,2-9H2,1H3,(H,16,20).
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide?
N-(3-morpholin-4-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3732708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).