1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid

C15H19ClN2O5 — CID 45109747

IUPAC1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid
SMILESNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C13H17ClN2O.C2H2O4/c14-12-3-1-10(2-4-12)9-16-7-5-11(6-8-16)13(15)17;3-1(4)2(5)6/h1-4,11H,5-9H2,(H2,15,17);(H,3,4)(H,5,6)
InChIKeyXGNCTMOJXJQQKC-UHFFFAOYSA-N
MW342.78 g/mol
LogP1.19
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid

1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid (PubChem CID 45109747) has the molecular formula C15H19ClN2O5 and a molecular weight of 342.78 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid
PubChem CID45109747
Molecular FormulaC15H19ClN2O5
Molecular Weight342.78 g/mol
Exact Mass342.10
IUPAC Name1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid
SMILESNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C13H17ClN2O.C2H2O4/c14-12-3-1-10(2-4-12)9-16-7-5-11(6-8-16)13(15)17;3-1(4)2(5)6/h1-4,11H,5-9H2,(H2,15,17);(H,3,4)(H,5,6)
InChIKeyXGNCTMOJXJQQKC-UHFFFAOYSA-N
XLogP1.19
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 51.19
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

1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
CID 16788434
1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 783332
sodium 4-[(4-carbamoylpiperidin-1-yl)methyl]phenolate
CID 57448397
1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43169014
3-[4-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 76909265
(3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 118058321
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530947
2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid
CID 83983228
1-[[4-[[(2-chloroacetyl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide
CID 154871087
1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 75504045
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
1-[(4-chlorophenyl)methyl]-4-cycloheptylpiperazine;oxalic acid
CID 17366730

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The IUPAC name of 1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid (CID 45109747) is 1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid is NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The InChIKey is XGNCTMOJXJQQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O.C2H2O4/c14-12-3-1-10(2-4-12)9-16-7-5-11(6-8-16)13(15)17;3-1(4)2(5)6/h1-4,11H,5-9H2,(H2,15,17);(H,3,4)(H,5,6).
What are the key properties of 1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid?
1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid has a molecular weight of 342.78 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 45109747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).