ethyl 4-[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]piperazine-1-carboxylate

C16H25N5O5 — CID 121092063

IUPACethyl 4-[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN(C)C(=O)c2cn(C)nc2OC)CC1
InChIInChI=1S/C16H25N5O5/c1-5-26-16(24)21-8-6-20(7-9-21)13(22)11-18(2)15(23)12-10-19(3)17-14(12)25-4/h10H,5-9,11H2,1-4H3
InChIKeyWJMDHZNBFMWNFH-UHFFFAOYSA-N
MW367.41 g/mol
LogP-0.20
Rot. Bonds5

About ethyl 4-[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]piperazine-1-carboxylate (PubChem CID 121092063) has the molecular formula C16H25N5O5 and a molecular weight of 367.41 g/mol. Its IUPAC name is ethyl 4-[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]piperazine-1-carboxylate
PubChem CID121092063
Molecular FormulaC16H25N5O5
Molecular Weight367.41 g/mol
Exact Mass367.19
IUPAC Nameethyl 4-[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN(C)C(=O)c2cn(C)nc2OC)CC1
InChIInChI=1S/C16H25N5O5/c1-5-26-16(24)21-8-6-20(7-9-21)13(22)11-18(2)15(23)12-10-19(3)17-14(12)25-4/h10H,5-9,11H2,1-4H3
InChIKeyWJMDHZNBFMWNFH-UHFFFAOYSA-N
XLogP-0.20
TPSA97.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]piperazine-1-carboxylate (CID 121092063) is ethyl 4-[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CN(C)C(=O)c2cn(C)nc2OC)CC1.
What is the InChIKey of ethyl 4-[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]piperazine-1-carboxylate?
The InChIKey is WJMDHZNBFMWNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O5/c1-5-26-16(24)21-8-6-20(7-9-21)13(22)11-18(2)15(23)12-10-19(3)17-14(12)25-4/h10H,5-9,11H2,1-4H3.
What are the key properties of ethyl 4-[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]piperazine-1-carboxylate has a molecular weight of 367.41 g/mol, XLogP of -0.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 121092063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).