N-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide

C21H33N3O2 — CID 91840346

IUPACN-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1Cc1cccc(OCCCN2CCCCC2)c1
InChIInChI=1S/C21H33N3O2/c1-22-21(25)20-10-6-14-24(20)17-18-8-5-9-19(16-18)26-15-7-13-23-11-3-2-4-12-23/h5,8-9,16,20H,2-4,6-7,10-15,17H2,1H3,(H,22,25)
InChIKeyQGURVPQIZAOCPJ-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.65
Rot. Bonds8

About N-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide

N-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 91840346) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID91840346
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1Cc1cccc(OCCCN2CCCCC2)c1
InChIInChI=1S/C21H33N3O2/c1-22-21(25)20-10-6-14-24(20)17-18-8-5-9-19(16-18)26-15-7-13-23-11-3-2-4-12-23/h5,8-9,16,20H,2-4,6-7,10-15,17H2,1H3,(H,22,25)
InChIKeyQGURVPQIZAOCPJ-UHFFFAOYSA-N
XLogP2.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-propoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056024
1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid
CID 2922693
(3S,8aS)-3-methyl-2-[[3-(4-piperidin-1-ylbutoxy)phenyl]methyl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 139598624
1-[[3-(3-cyanopropoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 122040326
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
N-methyl-1-[(3-pyridin-2-ylphenyl)methyl]piperidine-2-carboxamide
CID 75438609
4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]butan-2-one
CID 67876271
N-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide
CID 20567118
N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110627319
1-[3-(3-methoxyphenoxy)propyl]piperidine-2-carboxylic acid
CID 82224106
methyl (2S)-1-[[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]pyrrolidine-2-carboxylate
CID 26357499
1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide
CID 54848441

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide (CID 91840346) is N-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide is CNC(=O)C1CCCN1Cc1cccc(OCCCN2CCCCC2)c1.
What is the InChIKey of N-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is QGURVPQIZAOCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-22-21(25)20-10-6-14-24(20)17-18-8-5-9-19(16-18)26-15-7-13-23-11-3-2-4-12-23/h5,8-9,16,20H,2-4,6-7,10-15,17H2,1H3,(H,22,25).
What are the key properties of N-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
N-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 91840346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).