[1-[1-(3-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C22H30ClN3O2 — CID 24817339

IUPAC[1-[1-(3-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C22H30ClN3O2/c23-19-5-3-4-18(16-19)22(28)26-14-8-20(9-15-26)24-12-6-17(7-13-24)21(27)25-10-1-2-11-25/h3-5,16-17,20H,1-2,6-15H2
InChIKeyDUHMNQTYWCDIOS-UHFFFAOYSA-N
MW403.95 g/mol
LogP3.28
Rot. Bonds3

About [1-[1-(3-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[1-(3-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 24817339) has the molecular formula C22H30ClN3O2 and a molecular weight of 403.95 g/mol. Its IUPAC name is [1-[1-(3-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-(3-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID24817339
Molecular FormulaC22H30ClN3O2
Molecular Weight403.95 g/mol
Exact Mass403.20
IUPAC Name[1-[1-(3-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C22H30ClN3O2/c23-19-5-3-4-18(16-19)22(28)26-14-8-20(9-15-26)24-12-6-17(7-13-24)21(27)25-10-1-2-11-25/h3-5,16-17,20H,1-2,6-15H2
InChIKeyDUHMNQTYWCDIOS-UHFFFAOYSA-N
XLogP3.28
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(3-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-(3-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 24817339) is [1-[1-(3-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-(3-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-(3-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1cccc(Cl)c1)N1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1.
What is the InChIKey of [1-[1-(3-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DUHMNQTYWCDIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O2/c23-19-5-3-4-18(16-19)22(28)26-14-8-20(9-15-26)24-12-6-17(7-13-24)21(27)25-10-1-2-11-25/h3-5,16-17,20H,1-2,6-15H2.
What are the key properties of [1-[1-(3-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[1-(3-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 403.95 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(3-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24817339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).