N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(4-methylphenyl)carbamoylamino]acetamide

C23H29ClN4O2 — CID 508802

IUPACN-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(4-methylphenyl)carbamoylamino]acetamide
SMILESCc1ccc(NC(=O)NCC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H29ClN4O2/c1-17-2-8-21(9-3-17)27-23(30)26-15-22(29)25-14-18-10-12-28(13-11-18)16-19-4-6-20(24)7-5-19/h2-9,18H,10-16H2,1H3,(H,25,29)(H2,26,27,30)
InChIKeyBVNGJBSPOFHEIC-UHFFFAOYSA-N
MW428.96 g/mol
LogP3.80
Rot. Bonds7

About N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(4-methylphenyl)carbamoylamino]acetamide

N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(4-methylphenyl)carbamoylamino]acetamide (PubChem CID 508802) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(4-methylphenyl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(4-methylphenyl)carbamoylamino]acetamide
PubChem CID508802
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(4-methylphenyl)carbamoylamino]acetamide
SMILESCc1ccc(NC(=O)NCC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H29ClN4O2/c1-17-2-8-21(9-3-17)27-23(30)26-15-22(29)25-14-18-10-12-28(13-11-18)16-19-4-6-20(24)7-5-19/h2-9,18H,10-16H2,1H3,(H,25,29)(H2,26,27,30)
InChIKeyBVNGJBSPOFHEIC-UHFFFAOYSA-N
XLogP3.80
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(4-methylphenyl)carbamoylamino]acetamide?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(4-methylphenyl)carbamoylamino]acetamide (CID 508802) is N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(4-methylphenyl)carbamoylamino]acetamide.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(4-methylphenyl)carbamoylamino]acetamide?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(4-methylphenyl)carbamoylamino]acetamide is Cc1ccc(NC(=O)NCC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(4-methylphenyl)carbamoylamino]acetamide?
The InChIKey is BVNGJBSPOFHEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-17-2-8-21(9-3-17)27-23(30)26-15-22(29)25-14-18-10-12-28(13-11-18)16-19-4-6-20(24)7-5-19/h2-9,18H,10-16H2,1H3,(H,25,29)(H2,26,27,30).
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(4-methylphenyl)carbamoylamino]acetamide?
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(4-methylphenyl)carbamoylamino]acetamide has a molecular weight of 428.96 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(4-methylphenyl)carbamoylamino]acetamide is sourced from PubChem (CID 508802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).