1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid

C20H27ClN2O5 — CID 2903315

IUPAC1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid
SMILESO=C(NC1CCCC1)C1CCN(Cc2ccccc2Cl)CC1.O=C(O)C(=O)O
InChIInChI=1S/C18H25ClN2O.C2H2O4/c19-17-8-4-1-5-15(17)13-21-11-9-14(10-12-21)18(22)20-16-6-2-3-7-16;3-1(4)2(5)6/h1,4-5,8,14,16H,2-3,6-7,9-13H2,(H,20,22);(H,3,4)(H,5,6)
InChIKeyASCQECSAOSGZRA-UHFFFAOYSA-N
MW410.90 g/mol
LogP2.77
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid

1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid (PubChem CID 2903315) has the molecular formula C20H27ClN2O5 and a molecular weight of 410.90 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid
PubChem CID2903315
Molecular FormulaC20H27ClN2O5
Molecular Weight410.90 g/mol
Exact Mass410.16
IUPAC Name1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid
SMILESO=C(NC1CCCC1)C1CCN(Cc2ccccc2Cl)CC1.O=C(O)C(=O)O
InChIInChI=1S/C18H25ClN2O.C2H2O4/c19-17-8-4-1-5-15(17)13-21-11-9-14(10-12-21)18(22)20-16-6-2-3-7-16;3-1(4)2(5)6/h1,4-5,8,14,16H,2-3,6-7,9-13H2,(H,20,22);(H,3,4)(H,5,6)
InChIKeyASCQECSAOSGZRA-UHFFFAOYSA-N
XLogP2.77
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 30137317
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide
CID 166602716
1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 17366702
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide
CID 45015159
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006
N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45016925
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid (CID 2903315) is 1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid is O=C(NC1CCCC1)C1CCN(Cc2ccccc2Cl)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid?
The InChIKey is ASCQECSAOSGZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O.C2H2O4/c19-17-8-4-1-5-15(17)13-21-11-9-14(10-12-21)18(22)20-16-6-2-3-7-16;3-1(4)2(5)6/h1,4-5,8,14,16H,2-3,6-7,9-13H2,(H,20,22);(H,3,4)(H,5,6).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid?
1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid has a molecular weight of 410.90 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 2903315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).