N-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3,5-dimethoxybenzamide

C25H25ClN4O4 — CID 46042080

IUPACN-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4Cl)CC3)nc2)c1
InChIInChI=1S/C25H25ClN4O4/c1-33-19-13-17(14-20(15-19)34-2)24(31)28-18-7-8-23(27-16-18)29-9-11-30(12-10-29)25(32)21-5-3-4-6-22(21)26/h3-8,13-16H,9-12H2,1-2H3,(H,28,31)
InChIKeyGCXDZRVVRYWWNR-UHFFFAOYSA-N
MW480.95 g/mol
LogP3.97
Rot. Bonds6

About N-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3,5-dimethoxybenzamide

N-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3,5-dimethoxybenzamide (PubChem CID 46042080) has the molecular formula C25H25ClN4O4 and a molecular weight of 480.95 g/mol. Its IUPAC name is N-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3,5-dimethoxybenzamide
PubChem CID46042080
Molecular FormulaC25H25ClN4O4
Molecular Weight480.95 g/mol
Exact Mass480.16
IUPAC NameN-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4Cl)CC3)nc2)c1
InChIInChI=1S/C25H25ClN4O4/c1-33-19-13-17(14-20(15-19)34-2)24(31)28-18-7-8-23(27-16-18)29-9-11-30(12-10-29)25(32)21-5-3-4-6-22(21)26/h3-8,13-16H,9-12H2,1-2H3,(H,28,31)
InChIKeyGCXDZRVVRYWWNR-UHFFFAOYSA-N
XLogP3.97
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.95
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3,5-dimethoxybenzamide (CID 46042080) is N-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4Cl)CC3)nc2)c1.
What is the InChIKey of N-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3,5-dimethoxybenzamide?
The InChIKey is GCXDZRVVRYWWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O4/c1-33-19-13-17(14-20(15-19)34-2)24(31)28-18-7-8-23(27-16-18)29-9-11-30(12-10-29)25(32)21-5-3-4-6-22(21)26/h3-8,13-16H,9-12H2,1-2H3,(H,28,31).
What are the key properties of N-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3,5-dimethoxybenzamide?
N-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3,5-dimethoxybenzamide has a molecular weight of 480.95 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 46042080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).