N-naphthalen-1-yl-2-[4-[(4-propan-2-ylphenyl)carbamoylamino]piperidin-1-yl]acetamide

C27H32N4O2 — CID 3220891

IUPACN-naphthalen-1-yl-2-[4-[(4-propan-2-ylphenyl)carbamoylamino]piperidin-1-yl]acetamide
SMILESCC(C)c1ccc(NC(=O)NC2CCN(CC(=O)Nc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C27H32N4O2/c1-19(2)20-10-12-22(13-11-20)28-27(33)29-23-14-16-31(17-15-23)18-26(32)30-25-9-5-7-21-6-3-4-8-24(21)25/h3-13,19,23H,14-18H2,1-2H3,(H,30,32)(H2,28,29,33)
InChIKeyRXWUPUDUCHEETG-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.19
Rot. Bonds6

About N-naphthalen-1-yl-2-[4-[(4-propan-2-ylphenyl)carbamoylamino]piperidin-1-yl]acetamide

N-naphthalen-1-yl-2-[4-[(4-propan-2-ylphenyl)carbamoylamino]piperidin-1-yl]acetamide (PubChem CID 3220891) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-[4-[(4-propan-2-ylphenyl)carbamoylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-[4-[(4-propan-2-ylphenyl)carbamoylamino]piperidin-1-yl]acetamide
PubChem CID3220891
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN-naphthalen-1-yl-2-[4-[(4-propan-2-ylphenyl)carbamoylamino]piperidin-1-yl]acetamide
SMILESCC(C)c1ccc(NC(=O)NC2CCN(CC(=O)Nc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C27H32N4O2/c1-19(2)20-10-12-22(13-11-20)28-27(33)29-23-14-16-31(17-15-23)18-26(32)30-25-9-5-7-21-6-3-4-8-24(21)25/h3-13,19,23H,14-18H2,1-2H3,(H,30,32)(H2,28,29,33)
InChIKeyRXWUPUDUCHEETG-UHFFFAOYSA-N
XLogP5.19
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-[4-[(4-propan-2-ylphenyl)carbamoylamino]piperidin-1-yl]acetamide?
The IUPAC name of N-naphthalen-1-yl-2-[4-[(4-propan-2-ylphenyl)carbamoylamino]piperidin-1-yl]acetamide (CID 3220891) is N-naphthalen-1-yl-2-[4-[(4-propan-2-ylphenyl)carbamoylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-[4-[(4-propan-2-ylphenyl)carbamoylamino]piperidin-1-yl]acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-[4-[(4-propan-2-ylphenyl)carbamoylamino]piperidin-1-yl]acetamide is CC(C)c1ccc(NC(=O)NC2CCN(CC(=O)Nc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of N-naphthalen-1-yl-2-[4-[(4-propan-2-ylphenyl)carbamoylamino]piperidin-1-yl]acetamide?
The InChIKey is RXWUPUDUCHEETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-19(2)20-10-12-22(13-11-20)28-27(33)29-23-14-16-31(17-15-23)18-26(32)30-25-9-5-7-21-6-3-4-8-24(21)25/h3-13,19,23H,14-18H2,1-2H3,(H,30,32)(H2,28,29,33).
What are the key properties of N-naphthalen-1-yl-2-[4-[(4-propan-2-ylphenyl)carbamoylamino]piperidin-1-yl]acetamide?
N-naphthalen-1-yl-2-[4-[(4-propan-2-ylphenyl)carbamoylamino]piperidin-1-yl]acetamide has a molecular weight of 444.58 g/mol, XLogP of 5.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-[4-[(4-propan-2-ylphenyl)carbamoylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 3220891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).