N-ethyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide

C23H37N3O2 — CID 90656427

IUPACN-ethyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C23H37N3O2/c1-2-24-23(27)21-11-16-26(17-12-21)19-20-7-9-22(10-8-20)28-18-6-15-25-13-4-3-5-14-25/h7-10,21H,2-6,11-19H2,1H3,(H,24,27)
InChIKeyCIASMOBYUNYQDS-UHFFFAOYSA-N
MW387.57 g/mol
LogP3.29
Rot. Bonds9

About N-ethyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide

N-ethyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 90656427) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is N-ethyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide
PubChem CID90656427
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC NameN-ethyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C23H37N3O2/c1-2-24-23(27)21-11-16-26(17-12-21)19-20-7-9-22(10-8-20)28-18-6-15-25-13-4-3-5-14-25/h7-10,21H,2-6,11-19H2,1H3,(H,24,27)
InChIKeyCIASMOBYUNYQDS-UHFFFAOYSA-N
XLogP3.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide (CID 90656427) is N-ethyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide is CCNC(=O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1.
What is the InChIKey of N-ethyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is CIASMOBYUNYQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-2-24-23(27)21-11-16-26(17-12-21)19-20-7-9-22(10-8-20)28-18-6-15-25-13-4-3-5-14-25/h7-10,21H,2-6,11-19H2,1H3,(H,24,27).
What are the key properties of N-ethyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide?
N-ethyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 387.57 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 90656427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).