N-[1-(4-aminophenyl)ethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide

C22H28N6O — CID 11728913

IUPACN-[1-(4-aminophenyl)ethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)NC(C)c2ccc(N)cc2)CC1
InChIInChI=1S/C22H28N6O/c1-15(18-3-5-19(23)6-4-18)25-22(29)27-11-8-17(9-12-27)14-28-16(2)26-20-13-24-10-7-21(20)28/h3-7,10,13,15,17H,8-9,11-12,14,23H2,1-2H3,(H,25,29)
InChIKeyDCFGDDUGWWLHPG-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.50
Rot. Bonds4

About N-[1-(4-aminophenyl)ethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide

N-[1-(4-aminophenyl)ethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 11728913) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID11728913
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC NameN-[1-(4-aminophenyl)ethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)NC(C)c2ccc(N)cc2)CC1
InChIInChI=1S/C22H28N6O/c1-15(18-3-5-19(23)6-4-18)25-22(29)27-11-8-17(9-12-27)14-28-16(2)26-20-13-24-10-7-21(20)28/h3-7,10,13,15,17H,8-9,11-12,14,23H2,1-2H3,(H,25,29)
InChIKeyDCFGDDUGWWLHPG-UHFFFAOYSA-N
XLogP3.50
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide (CID 11728913) is N-[1-(4-aminophenyl)ethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide is Cc1nc2cnccc2n1CC1CCN(C(=O)NC(C)c2ccc(N)cc2)CC1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is DCFGDDUGWWLHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-15(18-3-5-19(23)6-4-18)25-22(29)27-11-8-17(9-12-27)14-28-16(2)26-20-13-24-10-7-21(20)28/h3-7,10,13,15,17H,8-9,11-12,14,23H2,1-2H3,(H,25,29).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide?
N-[1-(4-aminophenyl)ethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 11728913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).