(2S)-2-[[4-[(4-methoxybenzoyl)amino]piperidine-1-carbonyl]amino]-4-methylpentanoic acid

C20H29N3O5 — CID 126482730

IUPAC(2S)-2-[[4-[(4-methoxybenzoyl)amino]piperidine-1-carbonyl]amino]-4-methylpentanoic acid
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)N[C@@H](CC(C)C)C(=O)O)CC2)cc1
InChIInChI=1S/C20H29N3O5/c1-13(2)12-17(19(25)26)22-20(27)23-10-8-15(9-11-23)21-18(24)14-4-6-16(28-3)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,21,24)(H,22,27)(H,25,26)/t17-/m0/s1
InChIKeyHNNRHCJDWCSTGM-KRWDZBQOSA-N
MW391.47 g/mol
LogP2.10
Rot. Bonds7

About (2S)-2-[[4-[(4-methoxybenzoyl)amino]piperidine-1-carbonyl]amino]-4-methylpentanoic acid

(2S)-2-[[4-[(4-methoxybenzoyl)amino]piperidine-1-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 126482730) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is (2S)-2-[[4-[(4-methoxybenzoyl)amino]piperidine-1-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[4-[(4-methoxybenzoyl)amino]piperidine-1-carbonyl]amino]-4-methylpentanoic acid
PubChem CID126482730
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC Name(2S)-2-[[4-[(4-methoxybenzoyl)amino]piperidine-1-carbonyl]amino]-4-methylpentanoic acid
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)N[C@@H](CC(C)C)C(=O)O)CC2)cc1
InChIInChI=1S/C20H29N3O5/c1-13(2)12-17(19(25)26)22-20(27)23-10-8-15(9-11-23)21-18(24)14-4-6-16(28-3)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,21,24)(H,22,27)(H,25,26)/t17-/m0/s1
InChIKeyHNNRHCJDWCSTGM-KRWDZBQOSA-N
XLogP2.10
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[4-[(4-methoxybenzoyl)amino]piperidine-1-carbonyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

4-[(4-methoxybenzoyl)amino]-N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]piperidine-1-carboxamide
CID 155561610
N-benzyl-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 24793478
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61199167
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897
4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 127163757
4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822345
N-(2-fluorophenyl)-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 3218434
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548966
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820567
4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide
CID 3218579

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-[(4-methoxybenzoyl)amino]piperidine-1-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[[4-[(4-methoxybenzoyl)amino]piperidine-1-carbonyl]amino]-4-methylpentanoic acid (CID 126482730) is (2S)-2-[[4-[(4-methoxybenzoyl)amino]piperidine-1-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[4-[(4-methoxybenzoyl)amino]piperidine-1-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[4-[(4-methoxybenzoyl)amino]piperidine-1-carbonyl]amino]-4-methylpentanoic acid is COc1ccc(C(=O)NC2CCN(C(=O)N[C@@H](CC(C)C)C(=O)O)CC2)cc1.
What is the InChIKey of (2S)-2-[[4-[(4-methoxybenzoyl)amino]piperidine-1-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is HNNRHCJDWCSTGM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O5/c1-13(2)12-17(19(25)26)22-20(27)23-10-8-15(9-11-23)21-18(24)14-4-6-16(28-3)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,21,24)(H,22,27)(H,25,26)/t17-/m0/s1.
What are the key properties of (2S)-2-[[4-[(4-methoxybenzoyl)amino]piperidine-1-carbonyl]amino]-4-methylpentanoic acid?
(2S)-2-[[4-[(4-methoxybenzoyl)amino]piperidine-1-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 391.47 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-[(4-methoxybenzoyl)amino]piperidine-1-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 126482730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).