(2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic acid

C23H28N2O5 — CID 97338752

IUPAC(2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)C(=O)O
InChIInChI=1S/C23H28N2O5/c1-3-6-19(23(28)29)24-21(26)15-11-13-25(14-12-15)22(27)18-9-10-20(30-2)17-8-5-4-7-16(17)18/h4-5,7-10,15,19H,3,6,11-14H2,1-2H3,(H,24,26)(H,28,29)/t19-/m1/s1
InChIKeyFNCCQQHRJUPGGY-LJQANCHMSA-N
MW412.49 g/mol
LogP3.07
Rot. Bonds7

About (2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic acid

(2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic acid (PubChem CID 97338752) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is (2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic acid
PubChem CID97338752
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name(2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)C(=O)O
InChIInChI=1S/C23H28N2O5/c1-3-6-19(23(28)29)24-21(26)15-11-13-25(14-12-15)22(27)18-9-10-20(30-2)17-8-5-4-7-16(17)18/h4-5,7-10,15,19H,3,6,11-14H2,1-2H3,(H,24,26)(H,28,29)/t19-/m1/s1
InChIKeyFNCCQQHRJUPGGY-LJQANCHMSA-N
XLogP3.07
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic 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

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25495590
1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 47017719
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methoxynaphthalen-1-yl)methanone;hydrochloride
CID 119623313
(3R)-1-(4-methoxynaphthalene-1-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 25493135
N-(1-aminohexan-2-yl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 119665465
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910
(4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 119064875
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone
CID 120814465
(2S)-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 120615417
N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 112798153
N-(3,5-difluorophenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 42923438
(2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107562789

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic acid (CID 97338752) is (2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic acid is CCC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)C(=O)O.
What is the InChIKey of (2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic acid?
The InChIKey is FNCCQQHRJUPGGY-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-3-6-19(23(28)29)24-21(26)15-11-13-25(14-12-15)22(27)18-9-10-20(30-2)17-8-5-4-7-16(17)18/h4-5,7-10,15,19H,3,6,11-14H2,1-2H3,(H,24,26)(H,28,29)/t19-/m1/s1.
What are the key properties of (2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic acid?
(2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic acid has a molecular weight of 412.49 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 97338752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).