N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-piperidin-1-ylacetamide

C20H29ClN4O2 — CID 1146670

IUPACN-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc(NC(=O)CN2CCCCC2)c(Cl)c1
InChIInChI=1S/C20H29ClN4O2/c21-17-13-16(22-19(26)14-24-9-3-1-4-10-24)7-8-18(17)23-20(27)15-25-11-5-2-6-12-25/h7-8,13H,1-6,9-12,14-15H2,(H,22,26)(H,23,27)
InChIKeyPDPUOFINGQMZFJ-UHFFFAOYSA-N
MW392.93 g/mol
LogP3.19
Rot. Bonds6

About N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-piperidin-1-ylacetamide

N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-piperidin-1-ylacetamide (PubChem CID 1146670) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-piperidin-1-ylacetamide
PubChem CID1146670
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC NameN-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc(NC(=O)CN2CCCCC2)c(Cl)c1
InChIInChI=1S/C20H29ClN4O2/c21-17-13-16(22-19(26)14-24-9-3-1-4-10-24)7-8-18(17)23-20(27)15-25-11-5-2-6-12-25/h7-8,13H,1-6,9-12,14-15H2,(H,22,26)(H,23,27)
InChIKeyPDPUOFINGQMZFJ-UHFFFAOYSA-N
XLogP3.19
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-piperidin-1-ylacetamide (CID 1146670) is N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1ccc(NC(=O)CN2CCCCC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is PDPUOFINGQMZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O2/c21-17-13-16(22-19(26)14-24-9-3-1-4-10-24)7-8-18(17)23-20(27)15-25-11-5-2-6-12-25/h7-8,13H,1-6,9-12,14-15H2,(H,22,26)(H,23,27).
What are the key properties of N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-piperidin-1-ylacetamide?
N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 392.93 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 1146670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).