1-[(3-chlorophenyl)methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-4-carboxamide

C25H33ClN2O2 — CID 46765175

IUPAC1-[(3-chlorophenyl)methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-4-carboxamide
SMILESCCCOc1ccccc1CCCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C25H33ClN2O2/c1-2-17-30-24-11-4-3-8-21(24)9-6-14-27-25(29)22-12-15-28(16-13-22)19-20-7-5-10-23(26)18-20/h3-5,7-8,10-11,18,22H,2,6,9,12-17,19H2,1H3,(H,27,29)
InChIKeyIPICGXUJJYDMEX-UHFFFAOYSA-N
MW429.00 g/mol
LogP5.09
Rot. Bonds10

About 1-[(3-chlorophenyl)methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-4-carboxamide

1-[(3-chlorophenyl)methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-4-carboxamide (PubChem CID 46765175) has the molecular formula C25H33ClN2O2 and a molecular weight of 429.00 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-4-carboxamide
PubChem CID46765175
Molecular FormulaC25H33ClN2O2
Molecular Weight429.00 g/mol
Exact Mass428.22
IUPAC Name1-[(3-chlorophenyl)methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-4-carboxamide
SMILESCCCOc1ccccc1CCCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C25H33ClN2O2/c1-2-17-30-24-11-4-3-8-21(24)9-6-14-27-25(29)22-12-15-28(16-13-22)19-20-7-5-10-23(26)18-20/h3-5,7-8,10-11,18,22H,2,6,9,12-17,19H2,1H3,(H,27,29)
InChIKeyIPICGXUJJYDMEX-UHFFFAOYSA-N
XLogP5.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.00
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-4-carboxamide
CID 38145232
N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 46773335
1-(4-chlorophenyl)sulfonyl-N-[3-(2-propoxyphenyl)propyl]piperidine-3-carboxamide
CID 133189542
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-[(4-chlorophenyl)methylsulfonyl]-N-[3-(2-ethoxyphenyl)propyl]piperidine-4-carboxamide
CID 92678007
N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 51361887
1-[(3-ethoxyphenyl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 43923975
1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 53284530
1-[(3-chlorophenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917663
1-[(3-chlorophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43908767
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43917657

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-4-carboxamide (CID 46765175) is 1-[(3-chlorophenyl)methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-4-carboxamide is CCCOc1ccccc1CCCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is IPICGXUJJYDMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2O2/c1-2-17-30-24-11-4-3-8-21(24)9-6-14-27-25(29)22-12-15-28(16-13-22)19-20-7-5-10-23(26)18-20/h3-5,7-8,10-11,18,22H,2,6,9,12-17,19H2,1H3,(H,27,29).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-4-carboxamide?
1-[(3-chlorophenyl)methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 429.00 g/mol, XLogP of 5.09, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 46765175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).