N-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide

C20H30N4O2 — CID 118785519

IUPACN-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCC2)cc1NC(=O)NCC1CCNCC1
InChIInChI=1S/C20H30N4O2/c1-14-6-7-17(23-19(25)16-4-2-3-5-16)12-18(14)24-20(26)22-13-15-8-10-21-11-9-15/h6-7,12,15-16,21H,2-5,8-11,13H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyWYIHIZBIXAWEPC-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.24
Rot. Bonds5

About N-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide

N-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide (PubChem CID 118785519) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide
PubChem CID118785519
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCC2)cc1NC(=O)NCC1CCNCC1
InChIInChI=1S/C20H30N4O2/c1-14-6-7-17(23-19(25)16-4-2-3-5-16)12-18(14)24-20(26)22-13-15-8-10-21-11-9-15/h6-7,12,15-16,21H,2-5,8-11,13H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyWYIHIZBIXAWEPC-UHFFFAOYSA-N
XLogP3.24
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide (CID 118785519) is N-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide is Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)NCC1CCNCC1.
What is the InChIKey of N-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide?
The InChIKey is WYIHIZBIXAWEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-14-6-7-17(23-19(25)16-4-2-3-5-16)12-18(14)24-20(26)22-13-15-8-10-21-11-9-15/h6-7,12,15-16,21H,2-5,8-11,13H2,1H3,(H,23,25)(H2,22,24,26).
What are the key properties of N-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide?
N-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide has a molecular weight of 358.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 118785519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).