N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide

C18H23N3O — CID 110690935

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide
SMILESCC1CCN(c2ccc(NC(=O)Cc3ccc[nH]3)cc2)CC1
InChIInChI=1S/C18H23N3O/c1-14-8-11-21(12-9-14)17-6-4-15(5-7-17)20-18(22)13-16-3-2-10-19-16/h2-7,10,14,19H,8-9,11-13H2,1H3,(H,20,22)
InChIKeyKNLKXRAHVWXYLS-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.43
Rot. Bonds4

About N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide (PubChem CID 110690935) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide
PubChem CID110690935
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide
SMILESCC1CCN(c2ccc(NC(=O)Cc3ccc[nH]3)cc2)CC1
InChIInChI=1S/C18H23N3O/c1-14-8-11-21(12-9-14)17-6-4-15(5-7-17)20-18(22)13-16-3-2-10-19-16/h2-7,10,14,19H,8-9,11-13H2,1H3,(H,20,22)
InChIKeyKNLKXRAHVWXYLS-UHFFFAOYSA-N
XLogP3.43
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.43
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]-1H-pyrrole-2-carboxamide
CID 110691023
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 9302925
2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 28712286
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 60668633
2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109007619
5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 43346973
2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110703367
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109009876
2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113209558
2-[acetyl(cyclopropyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113158453
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9303488

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide (CID 110690935) is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide is CC1CCN(c2ccc(NC(=O)Cc3ccc[nH]3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide?
The InChIKey is KNLKXRAHVWXYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-8-11-21(12-9-14)17-6-4-15(5-7-17)20-18(22)13-16-3-2-10-19-16/h2-7,10,14,19H,8-9,11-13H2,1H3,(H,20,22).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide has a molecular weight of 297.40 g/mol, XLogP of 3.43, 4 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]-2-(1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 110690935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).