4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid

C14H25N3O4 — CID 62050387

IUPAC4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESCNC(=O)C1CCN(C(=O)NC(C)(C)CCC(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-14(2,7-4-11(18)19)16-13(21)17-8-5-10(6-9-17)12(20)15-3/h10H,4-9H2,1-3H3,(H,15,20)(H,16,21)(H,18,19)
InChIKeyAFVFGLAEYLWQCB-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.80
Rot. Bonds5

About 4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid

4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid (PubChem CID 62050387) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
PubChem CID62050387
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESCNC(=O)C1CCN(C(=O)NC(C)(C)CCC(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-14(2,7-4-11(18)19)16-13(21)17-8-5-10(6-9-17)12(20)15-3/h10H,4-9H2,1-3H3,(H,15,20)(H,16,21)(H,18,19)
InChIKeyAFVFGLAEYLWQCB-UHFFFAOYSA-N
XLogP0.80
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid
CID 62206502
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 63549164
4-methyl-4-(morpholine-4-carbonylamino)pentanoic acid
CID 62050012
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonylamino)-4-methylpentanoic acid
CID 62047614
4-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 62061706
2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxyacetic acid
CID 113498302
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 104968032
3,3-dimethyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 61440254
3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 64700228
4-methyl-4-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 62967281
4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 62049062
4-methyl-4-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid
CID 63614555

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid (CID 62050387) is 4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid is CNC(=O)C1CCN(C(=O)NC(C)(C)CCC(=O)O)CC1.
What is the InChIKey of 4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
The InChIKey is AFVFGLAEYLWQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-14(2,7-4-11(18)19)16-13(21)17-8-5-10(6-9-17)12(20)15-3/h10H,4-9H2,1-3H3,(H,15,20)(H,16,21)(H,18,19).
What are the key properties of 4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 62050387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).