2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid

C19H35N3O4 — CID 122012578

IUPAC2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(C(=O)NCC2(OC)CCC(C)CC2)CC1
InChIInChI=1S/C19H35N3O4/c1-4-21(13-17(23)24)16-7-11-22(12-8-16)18(25)20-14-19(26-3)9-5-15(2)6-10-19/h15-16H,4-14H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyWYMQKZNXYCQIHN-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.16
Rot. Bonds7

About 2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid

2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid (PubChem CID 122012578) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid
PubChem CID122012578
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Name2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(C(=O)NCC2(OC)CCC(C)CC2)CC1
InChIInChI=1S/C19H35N3O4/c1-4-21(13-17(23)24)16-7-11-22(12-8-16)18(25)20-14-19(26-3)9-5-15(2)6-10-19/h15-16H,4-14H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyWYMQKZNXYCQIHN-UHFFFAOYSA-N
XLogP2.16
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid
CID 122006152
2-[ethyl-[1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]piperidin-4-yl]amino]acetic acid
CID 122004604
N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 104706035
2-[ethyl-[1-[2-(3,3,5-trimethylcyclohexyl)ethylcarbamoyl]piperidin-4-yl]amino]acetic acid
CID 122011937
2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid
CID 122005078
2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122009847
2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122001416
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methylpiperidine-1-carboxamide
CID 113229953
1-[(1-methoxy-4-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122014253
2-[[1-(2-bicyclo[2.2.2]oct-5-enylmethylcarbamoyl)piperidin-4-yl]-ethylamino]acetic acid
CID 122124203
4-methyl-N-[(1-propylcyclopropyl)methyl]piperidine-1-carboxamide
CID 113257177
2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid
CID 122126135

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid (CID 122012578) is 2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid is CCN(CC(=O)O)C1CCN(C(=O)NCC2(OC)CCC(C)CC2)CC1.
What is the InChIKey of 2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid?
The InChIKey is WYMQKZNXYCQIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-4-21(13-17(23)24)16-7-11-22(12-8-16)18(25)20-14-19(26-3)9-5-15(2)6-10-19/h15-16H,4-14H2,1-3H3,(H,20,25)(H,23,24).
What are the key properties of 2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid?
2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid has a molecular weight of 369.51 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 122012578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).