2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid

C14H25N3O3 — CID 62978191

IUPAC2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid
SMILESCN(CCNC(=O)N1CCCC(CC(=O)O)C1)C1CC1
InChIInChI=1S/C14H25N3O3/c1-16(12-4-5-12)8-6-15-14(20)17-7-2-3-11(10-17)9-13(18)19/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyHROHFNWLNINPKW-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.98
Rot. Bonds6

About 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid

2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid (PubChem CID 62978191) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid
PubChem CID62978191
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid
SMILESCN(CCNC(=O)N1CCCC(CC(=O)O)C1)C1CC1
InChIInChI=1S/C14H25N3O3/c1-16(12-4-5-12)8-6-15-14(20)17-7-2-3-11(10-17)9-13(18)19/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyHROHFNWLNINPKW-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]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

N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide
CID 115623615
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid
CID 83113670
2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62978547
2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid
CID 62677015
2-[1-(3-methylsulfanylpropylcarbamoyl)piperidin-3-yl]acetic acid
CID 63958153
2-[1-[(4-methylcyclohexyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 63244628
2-[1-(4,4,4-trifluorobutylcarbamoyl)piperidin-3-yl]acetic acid
CID 115521318
2-[1-(2-prop-2-ynylsulfanylethylcarbamoyl)piperidin-3-yl]acetic acid
CID 106431237
2-[1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 114116892
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690079
2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid
CID 113467402

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid (CID 62978191) is 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid is CN(CCNC(=O)N1CCCC(CC(=O)O)C1)C1CC1.
What is the InChIKey of 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid?
The InChIKey is HROHFNWLNINPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-16(12-4-5-12)8-6-15-14(20)17-7-2-3-11(10-17)9-13(18)19/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid?
2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62978191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).