ethyl 2-(N-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]anilino)acetate

C24H29N5O3 — CID 3229040

IUPACethyl 2-(N-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)CN1CCC(n2nnc3cc(C)ccc32)CC1)c1ccccc1
InChIInChI=1S/C24H29N5O3/c1-3-32-24(31)17-28(19-7-5-4-6-8-19)23(30)16-27-13-11-20(12-14-27)29-22-10-9-18(2)15-21(22)25-26-29/h4-10,15,20H,3,11-14,16-17H2,1-2H3
InChIKeyDKLBAZQPAMVQEU-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.97
Rot. Bonds7

About ethyl 2-(N-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]anilino)acetate

ethyl 2-(N-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]anilino)acetate (PubChem CID 3229040) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is ethyl 2-(N-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]anilino)acetate
PubChem CID3229040
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Nameethyl 2-(N-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)CN1CCC(n2nnc3cc(C)ccc32)CC1)c1ccccc1
InChIInChI=1S/C24H29N5O3/c1-3-32-24(31)17-28(19-7-5-4-6-8-19)23(30)16-27-13-11-20(12-14-27)29-22-10-9-18(2)15-21(22)25-26-29/h4-10,15,20H,3,11-14,16-17H2,1-2H3
InChIKeyDKLBAZQPAMVQEU-UHFFFAOYSA-N
XLogP2.97
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]anilino)acetate?
The IUPAC name of ethyl 2-(N-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]anilino)acetate (CID 3229040) is ethyl 2-(N-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]anilino)acetate.
What is the SMILES notation for ethyl 2-(N-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]anilino)acetate?
The canonical SMILES for ethyl 2-(N-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]anilino)acetate is CCOC(=O)CN(C(=O)CN1CCC(n2nnc3cc(C)ccc32)CC1)c1ccccc1.
What is the InChIKey of ethyl 2-(N-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]anilino)acetate?
The InChIKey is DKLBAZQPAMVQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-3-32-24(31)17-28(19-7-5-4-6-8-19)23(30)16-27-13-11-20(12-14-27)29-22-10-9-18(2)15-21(22)25-26-29/h4-10,15,20H,3,11-14,16-17H2,1-2H3.
What are the key properties of ethyl 2-(N-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]anilino)acetate?
ethyl 2-(N-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]anilino)acetate has a molecular weight of 435.53 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]anilino)acetate is sourced from PubChem (CID 3229040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).