N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]benzamide

C23H22Cl2N4O — CID 164610738

IUPACN-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]benzamide
SMILESNC1CCN(c2c(NC(=O)c3ccccc3)cncc2-c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C23H22Cl2N4O/c24-17-10-16(11-18(25)12-17)20-13-27-14-21(22(20)29-8-6-19(26)7-9-29)28-23(30)15-4-2-1-3-5-15/h1-5,10-14,19H,6-9,26H2,(H,28,30)
InChIKeyUQKFVSMUQOTCRS-UHFFFAOYSA-N
MW441.36 g/mol
LogP5.24
Rot. Bonds4

About N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]benzamide

N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]benzamide (PubChem CID 164610738) has the molecular formula C23H22Cl2N4O and a molecular weight of 441.36 g/mol. Its IUPAC name is N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]benzamide
PubChem CID164610738
Molecular FormulaC23H22Cl2N4O
Molecular Weight441.36 g/mol
Exact Mass440.12
IUPAC NameN-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]benzamide
SMILESNC1CCN(c2c(NC(=O)c3ccccc3)cncc2-c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C23H22Cl2N4O/c24-17-10-16(11-18(25)12-17)20-13-27-14-21(22(20)29-8-6-19(26)7-9-29)28-23(30)15-4-2-1-3-5-15/h1-5,10-14,19H,6-9,26H2,(H,28,30)
InChIKeyUQKFVSMUQOTCRS-UHFFFAOYSA-N
XLogP5.24
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]benzamide?
The IUPAC name of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]benzamide (CID 164610738) is N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]benzamide.
What is the SMILES notation for N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]benzamide?
The canonical SMILES for N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]benzamide is NC1CCN(c2c(NC(=O)c3ccccc3)cncc2-c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]benzamide?
The InChIKey is UQKFVSMUQOTCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O/c24-17-10-16(11-18(25)12-17)20-13-27-14-21(22(20)29-8-6-19(26)7-9-29)28-23(30)15-4-2-1-3-5-15/h1-5,10-14,19H,6-9,26H2,(H,28,30).
What are the key properties of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]benzamide?
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]benzamide has a molecular weight of 441.36 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 164610738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).