N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

C15H25ClN4O — CID 72845963

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(CC(=O)NCCn2cc(Cl)cn2)CC1
InChIInChI=1S/C15H25ClN4O/c1-12(2)19-6-3-13(4-7-19)9-15(21)17-5-8-20-11-14(16)10-18-20/h10-13H,3-9H2,1-2H3,(H,17,21)
InChIKeyMUNMMDOISDOIRO-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.16
Rot. Bonds6

About N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 72845963) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID72845963
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(CC(=O)NCCn2cc(Cl)cn2)CC1
InChIInChI=1S/C15H25ClN4O/c1-12(2)19-6-3-13(4-7-19)9-15(21)17-5-8-20-11-14(16)10-18-20/h10-13H,3-9H2,1-2H3,(H,17,21)
InChIKeyMUNMMDOISDOIRO-UHFFFAOYSA-N
XLogP2.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 72845963) is N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is CC(C)N1CCC(CC(=O)NCCn2cc(Cl)cn2)CC1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is MUNMMDOISDOIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-12(2)19-6-3-13(4-7-19)9-15(21)17-5-8-20-11-14(16)10-18-20/h10-13H,3-9H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 312.85 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 72845963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).