N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide

C17H25N3O — CID 108987878

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C17H25N3O/c1-14-8-12-19(13-9-14)16-6-4-15(5-7-16)18-17(21)20-10-2-3-11-20/h4-7,14H,2-3,8-13H2,1H3,(H,18,21)
InChIKeyVSSIPSFHGJMCMB-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.55
Rot. Bonds2

About N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide

N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 108987878) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID108987878
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C17H25N3O/c1-14-8-12-19(13-9-14)16-6-4-15(5-7-16)18-17(21)20-10-2-3-11-20/h4-7,14H,2-3,8-13H2,1H3,(H,18,21)
InChIKeyVSSIPSFHGJMCMB-UHFFFAOYSA-N
XLogP3.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
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]piperidine-1-carboxamide
CID 108987931
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
N-[4-(4-methylpiperazin-1-yl)phenyl]azepane-1-carboxamide
CID 108991074
4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113114501
2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
CID 108990903
N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide
CID 79160722
N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 25264119
3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 108942827
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide
CID 110862273
3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013371
cyclobutyl-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079073

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide (CID 108987878) is N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide is CC1CCN(c2ccc(NC(=O)N3CCCC3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is VSSIPSFHGJMCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-8-12-19(13-9-14)16-6-4-15(5-7-16)18-17(21)20-10-2-3-11-20/h4-7,14H,2-3,8-13H2,1H3,(H,18,21).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 108987878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).