tert-butyl 3-[2-[(3R)-2-oxopiperidin-3-yl]acetyl]piperazine-1-carboxylate

C16H27N3O4 — CID 58467820

IUPACtert-butyl 3-[2-[(3R)-2-oxopiperidin-3-yl]acetyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(C(=O)C[C@H]2CCCNC2=O)C1
InChIInChI=1S/C16H27N3O4/c1-16(2,3)23-15(22)19-8-7-17-12(10-19)13(20)9-11-5-4-6-18-14(11)21/h11-12,17H,4-10H2,1-3H3,(H,18,21)/t11-,12?/m1/s1
InChIKeyNWPVCYPPQSWSAM-JHJMLUEUSA-N
MW325.41 g/mol
LogP0.68
Rot. Bonds3

About tert-butyl 3-[2-[(3R)-2-oxopiperidin-3-yl]acetyl]piperazine-1-carboxylate

tert-butyl 3-[2-[(3R)-2-oxopiperidin-3-yl]acetyl]piperazine-1-carboxylate (PubChem CID 58467820) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl 3-[2-[(3R)-2-oxopiperidin-3-yl]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[(3R)-2-oxopiperidin-3-yl]acetyl]piperazine-1-carboxylate
PubChem CID58467820
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Nametert-butyl 3-[2-[(3R)-2-oxopiperidin-3-yl]acetyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(C(=O)C[C@H]2CCCNC2=O)C1
InChIInChI=1S/C16H27N3O4/c1-16(2,3)23-15(22)19-8-7-17-12(10-19)13(20)9-11-5-4-6-18-14(11)21/h11-12,17H,4-10H2,1-3H3,(H,18,21)/t11-,12?/m1/s1
InChIKeyNWPVCYPPQSWSAM-JHJMLUEUSA-N
XLogP0.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[2-[(3R)-2-oxopiperidin-3-yl]acetyl]piperazine-1-carboxylate 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

tert-Butyl (2S,3R)-3-amino-6-oxo-[2,4'-bipiperidine]-1'-carboxylate
CID 100618419
Rel-tert-butyl (2R,3S)-3-amino-6-oxo-[2,4'-bipiperidine]-1'-carboxylate
CID 100618439
tert-butyl (2S)-2-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]carbamoyl]-4,4-difluoropiperidine-1-carboxylate
CID 168182343
US10849982, Compd # 44
CID 132117808
N-[(S)-1-amino-1,2-dioxo-3-heptyl]-1-[N-[(2-methyl-2-propyloxycarbonyl)piperadine-4-carbonyl]amino]cyclohexanecarboxamide
CID 15490909
N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide
CID 20871755
4-[5-(4-Ethylpiperidin-1-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentyl]piperidine-1-carboxylic acid
CID 23448126
1-[(2S)-6-amino-1-oxo-1-piperidin-4-ylhexan-2-yl]-4-methylpiperazine-2,5-dione
CID 44465146
tert-butyl 4-[(2S)-2-[(3S)-3-[(2S)-butan-2-yl]-4-methyl-2,5-dioxopiperazin-1-yl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]piperazine-1-carboxylate
CID 46855507
tert-Butyl 11-oxo-5,10-diazaspiro[5.5]undecane-5-carboxylate
CID 49761036
tert-butyl (2S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]octanoyl]piperazine-1-carboxylate
CID 53667583
tert-butyl (2S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]piperazine-1-carboxylate
CID 54208406

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[(3R)-2-oxopiperidin-3-yl]acetyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-[(3R)-2-oxopiperidin-3-yl]acetyl]piperazine-1-carboxylate (CID 58467820) is tert-butyl 3-[2-[(3R)-2-oxopiperidin-3-yl]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[(3R)-2-oxopiperidin-3-yl]acetyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[(3R)-2-oxopiperidin-3-yl]acetyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNC(C(=O)C[C@H]2CCCNC2=O)C1.
What is the InChIKey of tert-butyl 3-[2-[(3R)-2-oxopiperidin-3-yl]acetyl]piperazine-1-carboxylate?
The InChIKey is NWPVCYPPQSWSAM-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-16(2,3)23-15(22)19-8-7-17-12(10-19)13(20)9-11-5-4-6-18-14(11)21/h11-12,17H,4-10H2,1-3H3,(H,18,21)/t11-,12?/m1/s1.
What are the key properties of tert-butyl 3-[2-[(3R)-2-oxopiperidin-3-yl]acetyl]piperazine-1-carboxylate?
tert-butyl 3-[2-[(3R)-2-oxopiperidin-3-yl]acetyl]piperazine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[(3R)-2-oxopiperidin-3-yl]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 58467820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).