N-[2,5-dimethoxy-4-(phenylcarbamoylamino)phenyl]-2-piperidin-1-ylacetamide

C22H28N4O4 — CID 652478

IUPACN-[2,5-dimethoxy-4-(phenylcarbamoylamino)phenyl]-2-piperidin-1-ylacetamide
SMILESCOc1cc(NC(=O)Nc2ccccc2)c(OC)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C22H28N4O4/c1-29-19-14-18(25-22(28)23-16-9-5-3-6-10-16)20(30-2)13-17(19)24-21(27)15-26-11-7-4-8-12-26/h3,5-6,9-10,13-14H,4,7-8,11-12,15H2,1-2H3,(H,24,27)(H2,23,25,28)
InChIKeyZYPTVUFGLWEFFM-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.77
Rot. Bonds7

About N-[2,5-dimethoxy-4-(phenylcarbamoylamino)phenyl]-2-piperidin-1-ylacetamide

N-[2,5-dimethoxy-4-(phenylcarbamoylamino)phenyl]-2-piperidin-1-ylacetamide (PubChem CID 652478) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-(phenylcarbamoylamino)phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-(phenylcarbamoylamino)phenyl]-2-piperidin-1-ylacetamide
PubChem CID652478
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN-[2,5-dimethoxy-4-(phenylcarbamoylamino)phenyl]-2-piperidin-1-ylacetamide
SMILESCOc1cc(NC(=O)Nc2ccccc2)c(OC)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C22H28N4O4/c1-29-19-14-18(25-22(28)23-16-9-5-3-6-10-16)20(30-2)13-17(19)24-21(27)15-26-11-7-4-8-12-26/h3,5-6,9-10,13-14H,4,7-8,11-12,15H2,1-2H3,(H,24,27)(H2,23,25,28)
InChIKeyZYPTVUFGLWEFFM-UHFFFAOYSA-N
XLogP3.77
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-(phenylcarbamoylamino)phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[2,5-dimethoxy-4-(phenylcarbamoylamino)phenyl]-2-piperidin-1-ylacetamide (CID 652478) is N-[2,5-dimethoxy-4-(phenylcarbamoylamino)phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-(phenylcarbamoylamino)phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[2,5-dimethoxy-4-(phenylcarbamoylamino)phenyl]-2-piperidin-1-ylacetamide is COc1cc(NC(=O)Nc2ccccc2)c(OC)cc1NC(=O)CN1CCCCC1.
What is the InChIKey of N-[2,5-dimethoxy-4-(phenylcarbamoylamino)phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is ZYPTVUFGLWEFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-29-19-14-18(25-22(28)23-16-9-5-3-6-10-16)20(30-2)13-17(19)24-21(27)15-26-11-7-4-8-12-26/h3,5-6,9-10,13-14H,4,7-8,11-12,15H2,1-2H3,(H,24,27)(H2,23,25,28).
What are the key properties of N-[2,5-dimethoxy-4-(phenylcarbamoylamino)phenyl]-2-piperidin-1-ylacetamide?
N-[2,5-dimethoxy-4-(phenylcarbamoylamino)phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 412.49 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-(phenylcarbamoylamino)phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 652478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).