1-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

C20H30ClN3O2 — CID 3678032

IUPAC1-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H30ClN3O2/c21-19-4-2-17(3-5-19)16-24-10-6-18(7-11-24)20(25)22-8-1-9-23-12-14-26-15-13-23/h2-5,18H,1,6-16H2,(H,22,25)
InChIKeyGXGCQHUXLFQTPQ-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.39
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (PubChem CID 3678032) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
PubChem CID3678032
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H30ClN3O2/c21-19-4-2-17(3-5-19)16-24-10-6-18(7-11-24)20(25)22-8-1-9-23-12-14-26-15-13-23/h2-5,18H,1,6-16H2,(H,22,25)
InChIKeyGXGCQHUXLFQTPQ-UHFFFAOYSA-N
XLogP2.39
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.39
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 1-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (CID 3678032) is 1-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is O=C(NCCCN1CCOCC1)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The InChIKey is GXGCQHUXLFQTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O2/c21-19-4-2-17(3-5-19)16-24-10-6-18(7-11-24)20(25)22-8-1-9-23-12-14-26-15-13-23/h2-5,18H,1,6-16H2,(H,22,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide has a molecular weight of 379.93 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 3678032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).