3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide

C18H23Cl2N3O2 — CID 119622615

IUPAC3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(NCC2CC2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H23Cl2N3O2/c19-15-4-3-13(9-16(15)20)18(25)22-11-17(24)23-7-5-14(6-8-23)21-10-12-1-2-12/h3-4,9,12,14,21H,1-2,5-8,10-11H2,(H,22,25)
InChIKeyCQYPWASFXXZBAT-UHFFFAOYSA-N
MW384.31 g/mol
LogP2.71
Rot. Bonds6

About 3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide

3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 119622615) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID119622615
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC Name3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(NCC2CC2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H23Cl2N3O2/c19-15-4-3-13(9-16(15)20)18(25)22-11-17(24)23-7-5-14(6-8-23)21-10-12-1-2-12/h3-4,9,12,14,21H,1-2,5-8,10-11H2,(H,22,25)
InChIKeyCQYPWASFXXZBAT-UHFFFAOYSA-N
XLogP2.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide (CID 119622615) is 3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCC(NCC2CC2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is CQYPWASFXXZBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O2/c19-15-4-3-13(9-16(15)20)18(25)22-11-17(24)23-7-5-14(6-8-23)21-10-12-1-2-12/h3-4,9,12,14,21H,1-2,5-8,10-11H2,(H,22,25).
What are the key properties of 3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide?
3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 384.31 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 119622615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).