N-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide

C22H28ClN2O+ — CID 7334890

IUPACN-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccccc2Cl)CC1
InChIInChI=1S/C22H27ClN2O/c1-2-25(16-18-8-4-3-5-9-18)22(26)19-12-14-24(15-13-19)17-20-10-6-7-11-21(20)23/h3-11,19H,2,12-17H2,1H3/p+1
InChIKeyAMYVUKTZAGQPCX-UHFFFAOYSA-O
MW371.93 g/mol
LogP3.18
Rot. Bonds6

About N-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide

N-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide (PubChem CID 7334890) has the molecular formula C22H28ClN2O+ and a molecular weight of 371.93 g/mol. Its IUPAC name is N-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide
PubChem CID7334890
Molecular FormulaC22H28ClN2O+
Molecular Weight371.93 g/mol
Exact Mass371.19
IUPAC NameN-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccccc2Cl)CC1
InChIInChI=1S/C22H27ClN2O/c1-2-25(16-18-8-4-3-5-9-18)22(26)19-12-14-24(15-13-19)17-20-10-6-7-11-21(20)23/h3-11,19H,2,12-17H2,1H3/p+1
InChIKeyAMYVUKTZAGQPCX-UHFFFAOYSA-O
XLogP3.18
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.93
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7279394
N-benzyl-N-ethyl-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7324338
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-benzyl-1-[(2-hydroxyphenyl)methyl]-N-(2-phenylethyl)piperidin-1-ium-4-carboxamide
CID 7299697
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640
N-benzyl-1-[(2-hydroxyphenyl)methyl]-N-methylpiperidin-1-ium-4-carboxamide
CID 6944696
2-[benzyl-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]ethyl-dimethylazanium
CID 7317511
4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide
CID 55683370
1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium
CID 7297807
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid
CID 2903464

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide?
The IUPAC name of N-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide (CID 7334890) is N-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide is CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccccc2Cl)CC1.
What is the InChIKey of N-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide?
The InChIKey is AMYVUKTZAGQPCX-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H27ClN2O/c1-2-25(16-18-8-4-3-5-9-18)22(26)19-12-14-24(15-13-19)17-20-10-6-7-11-21(20)23/h3-11,19H,2,12-17H2,1H3/p+1.
What are the key properties of N-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide?
N-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide has a molecular weight of 371.93 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide is sourced from PubChem (CID 7334890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).