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

C15H28N2O3 — CID 62206502

IUPAC4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCCC1CCN(C(=O)NC(C)(C)CCC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-4-5-12-7-10-17(11-8-12)14(20)16-15(2,3)9-6-13(18)19/h12H,4-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyOKIMKMORWPOYKS-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds6

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

4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid (PubChem CID 62206502) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid
PubChem CID62206502
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCCC1CCN(C(=O)NC(C)(C)CCC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-4-5-12-7-10-17(11-8-12)14(20)16-15(2,3)9-6-13(18)19/h12H,4-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyOKIMKMORWPOYKS-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 62061706
4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 62050387
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-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 104968032
2-[2-[(4-propylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79462965
6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65290004
3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 82002788
4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid
CID 62041962
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid (CID 62206502) is 4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid is CCCC1CCN(C(=O)NC(C)(C)CCC(=O)O)CC1.
What is the InChIKey of 4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is OKIMKMORWPOYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-5-12-7-10-17(11-8-12)14(20)16-15(2,3)9-6-13(18)19/h12H,4-11H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid?
4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 62206502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).