N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide

C20H29ClN2O2 — CID 91916248

IUPACN-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H29ClN2O2/c1-2-20(24)23(19-8-12-25-13-9-19)18-6-10-22(11-7-18)15-16-4-3-5-17(21)14-16/h3-5,14,18-19H,2,6-13,15H2,1H3
InChIKeyREARVHNLTUMDHC-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.72
Rot. Bonds5

About N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide

N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide (PubChem CID 91916248) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide
PubChem CID91916248
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC NameN-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H29ClN2O2/c1-2-20(24)23(19-8-12-25-13-9-19)18-6-10-22(11-7-18)15-16-4-3-5-17(21)14-16/h3-5,14,18-19H,2,6-13,15H2,1H3
InChIKeyREARVHNLTUMDHC-UHFFFAOYSA-N
XLogP3.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide (CID 91916248) is N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide is CCC(=O)N(C1CCOCC1)C1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide?
The InChIKey is REARVHNLTUMDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c1-2-20(24)23(19-8-12-25-13-9-19)18-6-10-22(11-7-18)15-16-4-3-5-17(21)14-16/h3-5,14,18-19H,2,6-13,15H2,1H3.
What are the key properties of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide?
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide has a molecular weight of 364.92 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 91916248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).