1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid

C16H22N2O3 — CID 63126776

IUPAC1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(Cc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C16H22N2O3/c1-2-16(15(20)21)7-9-18(10-8-16)11-12-3-5-13(6-4-12)14(17)19/h3-6H,2,7-11H2,1H3,(H2,17,19)(H,20,21)
InChIKeyNQRUCRWPXUXGCF-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.86
Rot. Bonds5

About 1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid

1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid (PubChem CID 63126776) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
PubChem CID63126776
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(Cc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C16H22N2O3/c1-2-16(15(20)21)7-9-18(10-8-16)11-12-3-5-13(6-4-12)14(17)19/h3-6H,2,7-11H2,1H3,(H2,17,19)(H,20,21)
InChIKeyNQRUCRWPXUXGCF-UHFFFAOYSA-N
XLogP1.86
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126554
1-[(4-carbamoylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984298
1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65065108
4-[(4-carbamoylphenyl)methyl]piperidine-1,4-dicarboxylic acid
CID 67419609
4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide
CID 34947002
1-[(2-chloro-6-hydroxyphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 114322212
1-(4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136354
1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 114866947
1-[[3-(difluoromethyl)phenyl]methyl]-4-ethylpiperidine-4-carboxylic acid
CID 115529624
1-[(2-cyanophenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126646
1-[(5-bromothiophen-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126534
1-[(4-chlorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55166742

Frequently Asked Questions

What is the IUPAC name of 1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid (CID 63126776) is 1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(Cc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is NQRUCRWPXUXGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-16(15(20)21)7-9-18(10-8-16)11-12-3-5-13(6-4-12)14(17)19/h3-6H,2,7-11H2,1H3,(H2,17,19)(H,20,21).
What are the key properties of 1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid?
1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63126776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).