1-[(2-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide

C21H26ClN2O+ — CID 7334954

IUPAC1-[(2-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide
SMILESC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C21H25ClN2O/c1-16(17-7-3-2-4-8-17)23-21(25)18-11-13-24(14-12-18)15-19-9-5-6-10-20(19)22/h2-10,16,18H,11-15H2,1H3,(H,23,25)/p+1/t16-/m1/s1
InChIKeyINRBYXBJVMBFPK-MRXNPFEDSA-O
MW357.90 g/mol
LogP3.01
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide (PubChem CID 7334954) has the molecular formula C21H26ClN2O+ and a molecular weight of 357.90 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide
PubChem CID7334954
Molecular FormulaC21H26ClN2O+
Molecular Weight357.90 g/mol
Exact Mass357.17
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide
SMILESC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C21H25ClN2O/c1-16(17-7-3-2-4-8-17)23-21(25)18-11-13-24(14-12-18)15-19-9-5-6-10-20(19)22/h2-10,16,18H,11-15H2,1H3,(H,23,25)/p+1/t16-/m1/s1
InChIKeyINRBYXBJVMBFPK-MRXNPFEDSA-O
XLogP3.01
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.90
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide
CID 7324238
1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide
CID 7334869
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802369
1-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide
CID 7334957
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide
CID 7324355
1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium
CID 7297807
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 46801717

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide (CID 7334954) is 1-[(2-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide is C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide?
The InChIKey is INRBYXBJVMBFPK-MRXNPFEDSA-O. The full InChI is InChI=1S/C21H25ClN2O/c1-16(17-7-3-2-4-8-17)23-21(25)18-11-13-24(14-12-18)15-19-9-5-6-10-20(19)22/h2-10,16,18H,11-15H2,1H3,(H,23,25)/p+1/t16-/m1/s1.
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide has a molecular weight of 357.90 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 7334954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).