3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide

C17H24ClN3O2 — CID 120500534

IUPAC3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1
InChIInChI=1S/C17H24ClN3O2/c1-11(12(2)19)16(22)20-13-6-7-14(15(18)10-13)17(23)21-8-4-3-5-9-21/h6-7,10-12H,3-5,8-9,19H2,1-2H3,(H,20,22)
InChIKeyBWGPZVYKNLUBAH-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.89
Rot. Bonds4

About 3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide

3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide (PubChem CID 120500534) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide
PubChem CID120500534
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1
InChIInChI=1S/C17H24ClN3O2/c1-11(12(2)19)16(22)20-13-6-7-14(15(18)10-13)17(23)21-8-4-3-5-9-21/h6-7,10-12H,3-5,8-9,19H2,1-2H3,(H,20,22)
InChIKeyBWGPZVYKNLUBAH-UHFFFAOYSA-N
XLogP2.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide (CID 120500534) is 3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide is CC(N)C(C)C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1.
What is the InChIKey of 3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide?
The InChIKey is BWGPZVYKNLUBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-11(12(2)19)16(22)20-13-6-7-14(15(18)10-13)17(23)21-8-4-3-5-9-21/h6-7,10-12H,3-5,8-9,19H2,1-2H3,(H,20,22).
What are the key properties of 3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide?
3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide has a molecular weight of 337.85 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide is sourced from PubChem (CID 120500534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).