N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide

C17H21N3O — CID 110691023

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc[nH]3)cc2)CC1
InChIInChI=1S/C17H21N3O/c1-13-8-11-20(12-9-13)15-6-4-14(5-7-15)19-17(21)16-3-2-10-18-16/h2-7,10,13,18H,8-9,11-12H2,1H3,(H,19,21)
InChIKeyZFSBCAQOPAKTTI-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.50
Rot. Bonds3

About N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 110691023) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID110691023
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc[nH]3)cc2)CC1
InChIInChI=1S/C17H21N3O/c1-13-8-11-20(12-9-13)15-6-4-14(5-7-15)19-17(21)16-3-2-10-18-16/h2-7,10,13,18H,8-9,11-12H2,1H3,(H,19,21)
InChIKeyZFSBCAQOPAKTTI-UHFFFAOYSA-N
XLogP3.50
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide
CID 110690935
methyl 5-[[4-[4-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]carbamoyl]-1H-pyrrole-2-carboxylate
CID 163818211
2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 60600795
N-ethyl-N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1H-pyrrole-2-carboxamide
CID 123203777
N-[4-(4-methylpiperidin-1-yl)phenyl]-2,2-diphenylacetamide
CID 19629747
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9033710
N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide
CID 110692228
N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide
CID 9303445
3-N-[4-(4-methylpiperidin-1-yl)phenyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 109050431
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide
CID 9303499

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide (CID 110691023) is N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide is CC1CCN(c2ccc(NC(=O)c3ccc[nH]3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ZFSBCAQOPAKTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-8-11-20(12-9-13)15-6-4-14(5-7-15)19-17(21)16-3-2-10-18-16/h2-7,10,13,18H,8-9,11-12H2,1H3,(H,19,21).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110691023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).