N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide

C19H23Cl2N3O3 — CID 49347636

IUPACN-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H23Cl2N3O3/c1-12(25)22-16-4-7-23(8-5-16)19(27)17-3-2-6-24(17)18(26)13-9-14(20)11-15(21)10-13/h9-11,16-17H,2-8H2,1H3,(H,22,25)
InChIKeyOTNBCEFTMBRHPF-UHFFFAOYSA-N
MW412.32 g/mol
LogP2.73
Rot. Bonds3

About N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide

N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide (PubChem CID 49347636) has the molecular formula C19H23Cl2N3O3 and a molecular weight of 412.32 g/mol. Its IUPAC name is N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide
PubChem CID49347636
Molecular FormulaC19H23Cl2N3O3
Molecular Weight412.32 g/mol
Exact Mass411.11
IUPAC NameN-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H23Cl2N3O3/c1-12(25)22-16-4-7-23(8-5-16)19(27)17-3-2-6-24(17)18(26)13-9-14(20)11-15(21)10-13/h9-11,16-17H,2-8H2,1H3,(H,22,25)
InChIKeyOTNBCEFTMBRHPF-UHFFFAOYSA-N
XLogP2.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide (CID 49347636) is N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide?
The InChIKey is OTNBCEFTMBRHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O3/c1-12(25)22-16-4-7-23(8-5-16)19(27)17-3-2-6-24(17)18(26)13-9-14(20)11-15(21)10-13/h9-11,16-17H,2-8H2,1H3,(H,22,25).
What are the key properties of N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide?
N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 412.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 49347636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).