methyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate

C14H26N2O3 — CID 124597025

IUPACmethyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate
SMILESCC[C@@](C)(CC(=O)OC)NC(=O)CC1CCNCC1
InChIInChI=1S/C14H26N2O3/c1-4-14(2,10-13(18)19-3)16-12(17)9-11-5-7-15-8-6-11/h11,15H,4-10H2,1-3H3,(H,16,17)/t14-/m0/s1
InChIKeyYBKJBFZRUFTNIU-AWEZNQCLSA-N
MW270.37 g/mol
LogP1.22
Rot. Bonds6

About methyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate

methyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate (PubChem CID 124597025) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate
PubChem CID124597025
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate
SMILESCC[C@@](C)(CC(=O)OC)NC(=O)CC1CCNCC1
InChIInChI=1S/C14H26N2O3/c1-4-14(2,10-13(18)19-3)16-12(17)9-11-5-7-15-8-6-11/h11,15H,4-10H2,1-3H3,(H,16,17)/t14-/m0/s1
InChIKeyYBKJBFZRUFTNIU-AWEZNQCLSA-N
XLogP1.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate 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-(1-methoxy-2-methylpropan-2-yl)-2-piperidin-4-ylacetamide
CID 115738831
2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945988
methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-4-methoxy-3-methylbutanoate;hydrochloride
CID 119819764
N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide
CID 106168566
N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide
CID 114459098
N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide
CID 114314529
methyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride
CID 119344214
methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate
CID 119819819
N-tert-butyl-2-(piperidin-4-ylmethylamino)acetamide
CID 115356303
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 106176187
3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide
CID 106096629
2-(cyclopropylmethylamino)-N-(3-methylpentan-3-yl)acetamide;hydrochloride
CID 119785992

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate?
The IUPAC name of methyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate (CID 124597025) is methyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate.
What is the SMILES notation for methyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate?
The canonical SMILES for methyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate is CC[C@@](C)(CC(=O)OC)NC(=O)CC1CCNCC1.
What is the InChIKey of methyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate?
The InChIKey is YBKJBFZRUFTNIU-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-14(2,10-13(18)19-3)16-12(17)9-11-5-7-15-8-6-11/h11,15H,4-10H2,1-3H3,(H,16,17)/t14-/m0/s1.
What are the key properties of methyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate?
methyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate has a molecular weight of 270.37 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate is sourced from PubChem (CID 124597025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).