methyl (2R)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate

C17H28N4O5 — CID 7664022

IUPACmethyl (2R)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(C)=O)CCN1C(=O)C1CCNCC1
InChIInChI=1S/C17H28N4O5/c1-11(17(25)26-3)19-15(23)14-10-20(12(2)22)8-9-21(14)16(24)13-4-6-18-7-5-13/h11,13-14,18H,4-10H2,1-3H3,(H,19,23)/t11-,14-/m1/s1
InChIKeyNYNUXMSUKDAFLM-BXUZGUMPSA-N
MW368.43 g/mol
LogP-1.28
Rot. Bonds4

About methyl (2R)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate

methyl (2R)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate (PubChem CID 7664022) has the molecular formula C17H28N4O5 and a molecular weight of 368.43 g/mol. Its IUPAC name is methyl (2R)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate
PubChem CID7664022
Molecular FormulaC17H28N4O5
Molecular Weight368.43 g/mol
Exact Mass368.21
IUPAC Namemethyl (2R)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(C)=O)CCN1C(=O)C1CCNCC1
InChIInChI=1S/C17H28N4O5/c1-11(17(25)26-3)19-15(23)14-10-20(12(2)22)8-9-21(14)16(24)13-4-6-18-7-5-13/h11,13-14,18H,4-10H2,1-3H3,(H,19,23)/t11-,14-/m1/s1
InChIKeyNYNUXMSUKDAFLM-BXUZGUMPSA-N
XLogP-1.28
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[3-(4-morpholinyl)propyl]acetamide
CID 24792050
4-(2,2-Dimethylpropyl)-3-{2-[4-(morpholin-4-ylcarbonyl)piperidin-1-yl]-2-oxoethyl}piperazin-2-one
CID 16188943
2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 24791321
methyl (2R)-2-[[(2R)-4-acetyl-1-(cyclohexanecarbonyl)piperazine-2-carbonyl]amino]propanoate
CID 7663237
methyl (2R)-1-(piperidine-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate
CID 7161665
2-(1-methyl-3-oxo-2-piperazinyl)-N-[5-(4-morpholinyl)pentyl]acetamide
CID 45174698
Ethyl 4-[[2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
CID 45178351
2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[5-(4-morpholinyl)pentyl]acetamide
CID 45201020
Ethyl 4-[[2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 45206072
4-(3-Methylbutyl)-3-{2-[4-(4-morpholinylmethyl)-1-piperidinyl]-2-oxoethyl}-2-piperazinone
CID 45209618
Methyl 2-[[1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carbonyl]amino]acetate
CID 45231549
Ethyl 3-(2-methylpropyl)-2,5-dioxo-1-propyl-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 21925913

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate (CID 7664022) is methyl (2R)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate is COC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(C)=O)CCN1C(=O)C1CCNCC1.
What is the InChIKey of methyl (2R)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate?
The InChIKey is NYNUXMSUKDAFLM-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H28N4O5/c1-11(17(25)26-3)19-15(23)14-10-20(12(2)22)8-9-21(14)16(24)13-4-6-18-7-5-13/h11,13-14,18H,4-10H2,1-3H3,(H,19,23)/t11-,14-/m1/s1.
What are the key properties of methyl (2R)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate?
methyl (2R)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate has a molecular weight of 368.43 g/mol, XLogP of -1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 7664022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).